 Entering Gaussian System, Link 0=g16
 Input=12_L-valine_conformer02_wB97XD-augccpVDZr.in
 Output=12_L-valine_conformer02_wB97XD-augccpVDZr.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  6.554800D-02          -9.011202D-03
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            P    16   1.00
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            ****
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                  1.934190D+01          -1.082310D-01
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            ****
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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            P    16   1.00
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            P    16   1.00
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                  6.995600D-01           2.716570D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
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                  6.995600D-01          -5.388760D-01
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            F    1   1.00
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            ****
            -Ga     0
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                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  1.750446D+00           2.713900D-03
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
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                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
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                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
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                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
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                 29.2935000              0.0066660
                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
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                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
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                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
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                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
                  0.0777920              0.0203880
            S    7   1.00
                 53.4460000             -0.0003080
                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
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                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
                  0.0847070              0.6181780
            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
                  0.3272000              1.0000000
            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
                  0.4690000              1.0000000
            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
                  0.0131000              1.0000000
            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
                  0.0367360              1.0000000
            S    1   1.00
                  0.0137000              1.0000000
            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
                  0.0381770              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  5.7601300             -0.0164110
                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
                  0.0392180              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
                  0.0391720              1.0000000
            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
                  0.0431300              1.0000000
            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
                  0.3661640              0.3299670
            D    1   1.00
                  0.1239770              1.0000000
            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
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            -I     0
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            -Xe     0
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                 11.7533000             -0.1437480
                  4.5708900              0.2705360
                  0.9478400             -0.4015970
                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/additions/12_L-valine/Gau-44618.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/additions/12_L-valine/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     44634.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                26-Sep-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=48GB
 %chk=12_L-valine_conformer02_wB97XD-augccpVDZr
 ----------------------------------------------------------------------
 #P wB97XD/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA
  Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-58,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Sun Sep 26 19:30:51 2021, MaxMem=  6442450944 cpu:               1.5 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "12_L-valine_conformer02_wB97XD-augccpVDZr.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 0.993585000000     -1.745239000000      0.239671000000
  C                                                 1.146313000000     -0.227898000000      0.348170000000
  C                                                 0.022230000000      0.528321000000     -0.394337000000
  C                                                -1.334181000000     -0.019042000000      0.029559000000
  O                                                -1.895092000000     -0.819097000000     -0.904886000000
  C                                                 2.512610000000      0.221644000000     -0.165139000000
  N                                                 0.120252000000      1.961163000000     -0.137216000000
  O                                                -1.871612000000      0.224745000000      1.080003000000
  H                                                 0.139200000000      0.359391000000     -1.466547000000
  H                                                 1.057344000000      0.051271000000      1.404065000000
  H                                                -2.740016000000     -1.132676000000     -0.543174000000
  H                                                -0.508250000000      2.478404000000     -0.740521000000
  H                                                -0.164535000000      2.150467000000      0.818641000000
  H                                                 3.309830000000     -0.231043000000      0.427299000000
  H                                                 2.652415000000     -0.089583000000     -1.204317000000
  H                                                 2.612209000000      1.304246000000     -0.118207000000
  H                                                 0.069521000000     -2.102603000000      0.696299000000
  H                                                 0.997459000000     -2.065164000000     -0.805227000000
  H                                                 1.823354000000     -2.242758000000      0.743721000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     19 NQM=       19 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          16          12          14          16           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  15.9949146  12.0000000  14.0030740  15.9949146   1.0078250   1.0078250
 NucSpn=           0           0           0           0           0           0           2           0           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   5.6000000   3.6000000   4.5500000   5.6000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.0440000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.4037610   0.0000000   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   8.0000000   6.0000000   7.0000000   8.0000000   1.0000000   1.0000000

  Atom        11          12          13          14          15          16          17          18          19
 IAtWgt=           1           1           1           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Sun Sep 26 19:30:51 2021, MaxMem=  6442450944 cpu:               1.6 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.993585   -1.745239    0.239671
      2          6           0        1.146313   -0.227898    0.348170
      3          6           0        0.022230    0.528321   -0.394337
      4          6           0       -1.334181   -0.019042    0.029559
      5          8           0       -1.895092   -0.819097   -0.904886
      6          6           0        2.512610    0.221644   -0.165139
      7          7           0        0.120252    1.961163   -0.137216
      8          8           0       -1.871612    0.224745    1.080003
      9          1           0        0.139200    0.359391   -1.466547
     10          1           0        1.057344    0.051271    1.404065
     11          1           0       -2.740016   -1.132676   -0.543174
     12          1           0       -0.508250    2.478404   -0.740521
     13          1           0       -0.164535    2.150467    0.818641
     14          1           0        3.309830   -0.231043    0.427299
     15          1           0        2.652415   -0.089583   -1.204317
     16          1           0        2.612209    1.304246   -0.118207
     17          1           0        0.069521   -2.102603    0.696299
     18          1           0        0.997459   -2.065164   -0.805227
     19          1           0        1.823354   -2.242758    0.743721
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.528863   0.000000
     3  C    2.552366   1.544910   0.000000
     4  C    2.905580   2.509579   1.522874   0.000000
     5  O    3.242253   3.342127   2.398399   1.351997   0.000000
     6  C    2.517923   1.527201   2.519638   3.859228   4.588922
     7  N    3.826509   2.465844   1.459026   2.462600   3.518632
     8  O    3.577198   3.138206   2.419189   1.204864   2.242753
     9  H    2.840884   2.156938   1.091720   2.133635   2.417156
    10  H    2.141805   1.095794   2.129152   2.759276   3.847814
    11  H    3.863658   4.088603   3.226618   1.882704   0.971115
    12  H    4.588621   3.353639   2.050384   2.740880   3.581042
    13  H    4.105237   2.756136   2.034098   2.587951   3.844956
    14  H    2.773623   2.164966   3.472756   4.665831   5.404788
    15  H    2.752819   2.167416   2.820593   4.173772   4.615373
    16  H    3.470933   2.171134   2.717775   4.164963   5.044126
    17  H    1.090923   2.189793   2.848418   2.599259   2.840930
    18  H    1.092785   2.174403   2.801083   3.212480   3.151106
    19  H    1.090921   2.162061   3.495440   3.927463   4.309473
                    6          7          8          9         10
     6  C    0.000000
     7  N    2.958054   0.000000
     8  O    4.557608   2.909346   0.000000
     9  H    2.710297   2.081623   3.247524   0.000000
    10  H    2.146911   2.627047   2.951930   3.029577   0.000000
    11  H    5.437571   4.232939   2.287230   3.371760   4.428703
    12  H    3.814397   1.013178   3.201881   2.331635   3.597403
    13  H    3.443151   1.015186   2.586663   2.919297   2.498466
    14  H    1.091544   3.911247   5.242242   3.740075   2.471329
    15  H    1.093754   3.428719   5.077769   2.566436   3.060678
    16  H    1.088186   2.577159   4.765048   2.970950   2.510949
    17  H    3.480357   4.148676   3.054795   3.277830   2.473035
    18  H    2.816893   4.174571   4.126663   2.655639   3.060042
    19  H    2.715581   4.620558   4.455831   3.806946   2.507069
                   11         12         13         14         15
    11  H    0.000000
    12  H    4.249662   0.000000
    13  H    4.389382   1.629929   0.000000
    14  H    6.193173   4.825209   4.230361   0.000000
    15  H    5.532040   4.098715   4.128606   1.764760   0.000000
    16  H    5.896227   3.391635   3.050259   1.772389   1.767487
    17  H    3.220334   4.835690   4.261262   3.751626   3.786282
    18  H    3.860949   4.786999   4.664625   3.198465   2.607887
    19  H    4.869571   5.470715   4.822628   2.521256   3.019662
                   16         17         18         19
    16  H    0.000000
    17  H    4.328430   0.000000
    18  H    3.798992   1.765517   0.000000
    19  H    3.734495   1.760063   1.764336   0.000000
 Stoichiometry    C5H11NO2
 Framework group  C1[X(C5H11NO2)]
 Deg. of freedom    51
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 4.89D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.993585   -1.745239    0.239671
      2          6           0        1.146313   -0.227898    0.348170
      3          6           0        0.022230    0.528321   -0.394337
      4          6           0       -1.334181   -0.019042    0.029559
      5          8           0       -1.895092   -0.819097   -0.904886
      6          6           0        2.512610    0.221644   -0.165139
      7          7           0        0.120252    1.961163   -0.137216
      8          8           0       -1.871612    0.224745    1.080003
      9          1           0        0.139200    0.359391   -1.466547
     10          1           0        1.057344    0.051271    1.404065
     11          1           0       -2.740016   -1.132676   -0.543174
     12          1           0       -0.508250    2.478404   -0.740521
     13          1           0       -0.164535    2.150467    0.818641
     14          1           0        3.309830   -0.231043    0.427299
     15          1           0        2.652415   -0.089583   -1.204317
     16          1           0        2.612209    1.304246   -0.118207
     17          1           0        0.069521   -2.102603    0.696299
     18          1           0        0.997459   -2.065164   -0.805227
     19          1           0        1.823354   -2.242758    0.743721
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           2.8120243           1.5720449           1.2312158
 Leave Link  202 at Sun Sep 26 19:30:52 2021, MaxMem=  6442450944 cpu:               0.2 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       9     10     11     12     13     14     15     16     17     18
 Centers:      19
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      6
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       7
 S 9 1.00
     Exponent=  9.0460000000D+03 Coefficients=  7.0000000000D-04
     Exponent=  1.3570000000D+03 Coefficients=  5.3890000000D-03
     Exponent=  3.0930000000D+02 Coefficients=  2.7406000000D-02
     Exponent=  8.7730000000D+01 Coefficients=  1.0320700000D-01
     Exponent=  2.8560000000D+01 Coefficients=  2.7872300000D-01
     Exponent=  1.0210000000D+01 Coefficients=  4.4854000000D-01
     Exponent=  3.8380000000D+00 Coefficients=  2.7823800000D-01
     Exponent=  7.4660000000D-01 Coefficients=  1.5440000000D-02
     Exponent=  2.2480000000D-01 Coefficients= -2.8640000000D-03
 S 9 1.00
     Exponent=  9.0460000000D+03 Coefficients= -1.5300000000D-04
     Exponent=  1.3570000000D+03 Coefficients= -1.2080000000D-03
     Exponent=  3.0930000000D+02 Coefficients= -5.9920000000D-03
     Exponent=  8.7730000000D+01 Coefficients= -2.4544000000D-02
     Exponent=  2.8560000000D+01 Coefficients= -6.7459000000D-02
     Exponent=  1.0210000000D+01 Coefficients= -1.5807800000D-01
     Exponent=  3.8380000000D+00 Coefficients= -1.2183100000D-01
     Exponent=  7.4660000000D-01 Coefficients=  5.4900300000D-01
     Exponent=  2.2480000000D-01 Coefficients=  5.7881500000D-01
 S 1 1.00
     Exponent=  2.2480000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.1240000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.3550000000D+01 Coefficients=  3.9919000000D-02
     Exponent=  2.9170000000D+00 Coefficients=  2.1716900000D-01
     Exponent=  7.9730000000D-01 Coefficients=  5.1031900000D-01
     Exponent=  2.1850000000D-01 Coefficients=  4.6221400000D-01
 P 1 1.00
     Exponent=  2.1850000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  5.6110000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.1700000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  2.3000000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       5      8
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients=  7.1000000000D-04
     Exponent=  1.7590000000D+03 Coefficients=  5.4700000000D-03
     Exponent=  4.0080000000D+02 Coefficients=  2.7837000000D-02
     Exponent=  1.1370000000D+02 Coefficients=  1.0480000000D-01
     Exponent=  3.7030000000D+01 Coefficients=  2.8306200000D-01
     Exponent=  1.3270000000D+01 Coefficients=  4.4871900000D-01
     Exponent=  5.0250000000D+00 Coefficients=  2.7095200000D-01
     Exponent=  1.0130000000D+00 Coefficients=  1.5458000000D-02
     Exponent=  3.0230000000D-01 Coefficients= -2.5850000000D-03
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients= -1.6000000000D-04
     Exponent=  1.7590000000D+03 Coefficients= -1.2630000000D-03
     Exponent=  4.0080000000D+02 Coefficients= -6.2670000000D-03
     Exponent=  1.1370000000D+02 Coefficients= -2.5716000000D-02
     Exponent=  3.7030000000D+01 Coefficients= -7.0924000000D-02
     Exponent=  1.3270000000D+01 Coefficients= -1.6541100000D-01
     Exponent=  5.0250000000D+00 Coefficients= -1.1695500000D-01
     Exponent=  1.0130000000D+00 Coefficients=  5.5736800000D-01
     Exponent=  3.0230000000D-01 Coefficients=  5.7275900000D-01
 S 1 1.00
     Exponent=  3.0230000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.8960000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.7700000000D+01 Coefficients=  4.3018000000D-02
     Exponent=  3.8540000000D+00 Coefficients=  2.2891300000D-01
     Exponent=  1.0460000000D+00 Coefficients=  5.0872800000D-01
     Exponent=  2.7530000000D-01 Coefficients=  4.6053100000D-01
 P 1 1.00
     Exponent=  2.7530000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.8560000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1850000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.3200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  24 primitive shells out of 312 were deleted.
 There are   299 symmetry adapted cartesian basis functions of A   symmetry.
 There are   283 symmetry adapted basis functions of A   symmetry.
   283 basis functions,   508 primitive gaussians,   299 cartesian basis functions
    32 alpha electrons       32 beta electrons
       nuclear repulsion energy       407.1252170652 Hartrees.
 IExCor= 4639 DFT=T Ex+Corr=wB97XD ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 HFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.222036 cShort=  0.000000 cLong=  0.777964
 DFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   19 NActive=   19 NUniq=   19 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.0117368860 Hartrees.
 Nuclear repulsion after empirical dispersion term =      407.1134801793 Hartrees.
 Leave Link  301 at Sun Sep 26 19:30:54 2021, MaxMem=  6442450944 cpu:              17.7 elap:               2.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   283 RedAO= T EigKep=  6.86D-06  NBF=   283
 NBsUse=   283 1.00D-06 EigRej= -1.00D+00 NBFU=   283
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   299   299   299   299   299 MxSgAt=    19 MxSgA2=    19.
 Leave Link  302 at Sun Sep 26 19:30:55 2021, MaxMem=  6442450944 cpu:               4.8 elap:               0.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Sun Sep 26 19:30:55 2021, MaxMem=  6442450944 cpu:               0.9 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "12_L-valine_conformer02_wB97XD-augccpVDZr.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000    0.000000   -0.000000
         Rot=    1.000000   -0.000000   -0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Sun Sep 26 19:30:56 2021, MaxMem=  6442450944 cpu:               4.0 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  6442450944 LenX=  6442266785 LenY=  6442176943
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -402.309019637095    
 DIIS: error= 1.75D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -402.309019637095     IErMin= 1 ErrMin= 1.75D-03
 ErrMax= 1.75D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.51D-03 BMatP= 5.51D-03
 IDIUse=3 WtCom= 9.83D-01 WtEn= 1.75D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.407 Goal=   None    Shift=    0.000
 GapD=    0.407 DampG=2.000 DampE=1.000 DampFc=2.0000 IDamp=-1.
 RMSDP=1.16D-02 MaxDP=9.94D-01              OVMax= 1.62D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  1.14D-02    CP:  1.09D+00
 E= -402.313725530619     Delta-E=       -0.004705893524 Rises=F Damp=F
 DIIS: error= 3.73D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -402.313725530619     IErMin= 2 ErrMin= 3.73D-04
 ErrMax= 3.73D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.08D-04 BMatP= 5.51D-03
 IDIUse=3 WtCom= 9.96D-01 WtEn= 3.73D-03
 Coeff-Com: -0.504D-01 0.105D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.502D-01 0.105D+01
 Gap=     0.372 Goal=   None    Shift=    0.000
 RMSDP=1.72D-03 MaxDP=1.59D-01 DE=-4.71D-03 OVMax= 5.69D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  6.39D-04    CP:  1.09D+00  1.14D+00
 E= -402.313858072177     Delta-E=       -0.000132541557 Rises=F Damp=F
 DIIS: error= 3.60D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -402.313858072177     IErMin= 3 ErrMin= 3.60D-04
 ErrMax= 3.60D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.15D-05 BMatP= 1.08D-04
 IDIUse=3 WtCom= 9.96D-01 WtEn= 3.60D-03
 Coeff-Com: -0.422D-01 0.508D+00 0.535D+00
 Coeff-En:   0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.421D-01 0.506D+00 0.536D+00
 Gap=     0.371 Goal=   None    Shift=    0.000
 RMSDP=1.43D-04 MaxDP=9.39D-03 DE=-1.33D-04 OVMax= 1.22D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  6.17D-05    CP:  1.09D+00  1.15D+00  1.11D+00
 E= -402.313915280945     Delta-E=       -0.000057208768 Rises=F Damp=F
 DIIS: error= 4.51D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -402.313915280945     IErMin= 4 ErrMin= 4.51D-05
 ErrMax= 4.51D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.47D-06 BMatP= 8.15D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.404D-03-0.508D-01 0.853D-01 0.966D+00
 Coeff:     -0.404D-03-0.508D-01 0.853D-01 0.966D+00
 Gap=     0.371 Goal=   None    Shift=    0.000
 RMSDP=1.07D-04 MaxDP=5.78D-03 DE=-5.72D-05 OVMax= 1.10D-03

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  4.37D-05    CP:  1.09D+00  1.15D+00  1.22D+00  1.41D+00
 E= -402.313918948445     Delta-E=       -0.000003667500 Rises=F Damp=F
 DIIS: error= 3.08D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -402.313918948445     IErMin= 5 ErrMin= 3.08D-05
 ErrMax= 3.08D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.64D-07 BMatP= 2.47D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.314D-02-0.643D-01-0.457D-02 0.462D+00 0.603D+00
 Coeff:      0.314D-02-0.643D-01-0.457D-02 0.462D+00 0.603D+00
 Gap=     0.371 Goal=   None    Shift=    0.000
 RMSDP=1.85D-05 MaxDP=9.38D-04 DE=-3.67D-06 OVMax= 2.82D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  9.01D-06    CP:  1.09D+00  1.15D+00  1.24D+00  1.54D+00  1.14D+00
 E= -402.313919675393     Delta-E=       -0.000000726948 Rises=F Damp=F
 DIIS: error= 9.19D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -402.313919675393     IErMin= 6 ErrMin= 9.19D-06
 ErrMax= 9.19D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.94D-08 BMatP= 7.64D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.153D-02-0.227D-01-0.134D-01 0.806D-01 0.274D+00 0.680D+00
 Coeff:      0.153D-02-0.227D-01-0.134D-01 0.806D-01 0.274D+00 0.680D+00
 Gap=     0.371 Goal=   None    Shift=    0.000
 RMSDP=6.13D-06 MaxDP=7.57D-04 DE=-7.27D-07 OVMax= 1.39D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  2.81D-06    CP:  1.09D+00  1.15D+00  1.24D+00  1.58D+00  1.22D+00
                    CP:  1.19D+00
 E= -402.313919765074     Delta-E=       -0.000000089680 Rises=F Damp=F
 DIIS: error= 2.97D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -402.313919765074     IErMin= 7 ErrMin= 2.97D-06
 ErrMax= 2.97D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.01D-08 BMatP= 8.94D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.224D-04 0.335D-02-0.338D-02-0.543D-01 0.193D-02 0.259D+00
 Coeff-Com:  0.794D+00
 Coeff:     -0.224D-04 0.335D-02-0.338D-02-0.543D-01 0.193D-02 0.259D+00
 Coeff:      0.794D+00
 Gap=     0.371 Goal=   None    Shift=    0.000
 RMSDP=3.35D-06 MaxDP=4.31D-04 DE=-8.97D-08 OVMax= 7.89D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  1.45D-06    CP:  1.09D+00  1.15D+00  1.24D+00  1.58D+00  1.26D+00
                    CP:  1.25D+00  1.35D+00
 E= -402.313919780963     Delta-E=       -0.000000015889 Rises=F Damp=F
 DIIS: error= 6.69D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -402.313919780963     IErMin= 8 ErrMin= 6.69D-07
 ErrMax= 6.69D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.95D-10 BMatP= 1.01D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.131D-03 0.256D-02 0.542D-03-0.181D-01-0.220D-01-0.260D-01
 Coeff-Com:  0.156D+00 0.907D+00
 Coeff:     -0.131D-03 0.256D-02 0.542D-03-0.181D-01-0.220D-01-0.260D-01
 Coeff:      0.156D+00 0.907D+00
 Gap=     0.371 Goal=   None    Shift=    0.000
 RMSDP=9.79D-07 MaxDP=6.33D-05 DE=-1.59D-08 OVMax= 2.86D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  4.57D-07    CP:  1.09D+00  1.15D+00  1.24D+00  1.58D+00  1.26D+00
                    CP:  1.27D+00  1.47D+00  1.12D+00
 E= -402.313919782326     Delta-E=       -0.000000001363 Rises=F Damp=F
 DIIS: error= 2.36D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -402.313919782326     IErMin= 9 ErrMin= 2.36D-07
 ErrMax= 2.36D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.29D-11 BMatP= 5.95D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.282D-04 0.323D-03 0.397D-03 0.268D-03-0.419D-02-0.281D-01
 Coeff-Com: -0.287D-01 0.192D+00 0.868D+00
 Coeff:     -0.282D-04 0.323D-03 0.397D-03 0.268D-03-0.419D-02-0.281D-01
 Coeff:     -0.287D-01 0.192D+00 0.868D+00
 Gap=     0.371 Goal=   None    Shift=    0.000
 RMSDP=2.94D-07 MaxDP=1.71D-05 DE=-1.36D-09 OVMax= 8.54D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  1.50D-07    CP:  1.09D+00  1.15D+00  1.24D+00  1.58D+00  1.26D+00
                    CP:  1.26D+00  1.50D+00  1.19D+00  1.09D+00
 E= -402.313919782454     Delta-E=       -0.000000000128 Rises=F Damp=F
 DIIS: error= 7.25D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -402.313919782454     IErMin=10 ErrMin= 7.25D-08
 ErrMax= 7.25D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.00D-12 BMatP= 5.29D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.132D-04-0.320D-03-0.776D-06 0.280D-02 0.277D-02-0.251D-02
 Coeff-Com: -0.292D-01-0.914D-01 0.195D+00 0.922D+00
 Coeff:      0.132D-04-0.320D-03-0.776D-06 0.280D-02 0.277D-02-0.251D-02
 Coeff:     -0.292D-01-0.914D-01 0.195D+00 0.922D+00
 Gap=     0.371 Goal=   None    Shift=    0.000
 RMSDP=1.10D-07 MaxDP=7.58D-06 DE=-1.28D-10 OVMax= 3.49D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  4.13D-08    CP:  1.09D+00  1.15D+00  1.24D+00  1.58D+00  1.26D+00
                    CP:  1.26D+00  1.50D+00  1.19D+00  1.20D+00  1.26D+00
 E= -402.313919782438     Delta-E=        0.000000000016 Rises=F Damp=F
 DIIS: error= 1.90D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=10 EnMin= -402.313919782454     IErMin=11 ErrMin= 1.90D-08
 ErrMax= 1.90D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.47D-13 BMatP= 7.00D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.311D-05-0.562D-04-0.213D-04 0.318D-03 0.626D-03 0.130D-02
 Coeff-Com: -0.213D-02-0.229D-01-0.278D-01 0.101D+00 0.950D+00
 Coeff:      0.311D-05-0.562D-04-0.213D-04 0.318D-03 0.626D-03 0.130D-02
 Coeff:     -0.213D-02-0.229D-01-0.278D-01 0.101D+00 0.950D+00
 Gap=     0.371 Goal=   None    Shift=    0.000
 RMSDP=2.09D-08 MaxDP=9.38D-07 DE= 1.59D-11 OVMax= 9.20D-07

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  1.11D-08    CP:  1.09D+00  1.15D+00  1.24D+00  1.58D+00  1.26D+00
                    CP:  1.26D+00  1.50D+00  1.19D+00  1.20D+00  1.33D+00
                    CP:  1.16D+00
 E= -402.313919782492     Delta-E=       -0.000000000054 Rises=F Damp=F
 DIIS: error= 9.18D-09 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=12 EnMin= -402.313919782492     IErMin=12 ErrMin= 9.18D-09
 ErrMax= 9.18D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.01D-14 BMatP= 3.47D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.564D-06 0.218D-04-0.749D-05-0.263D-03-0.143D-03 0.804D-03
 Coeff-Com:  0.309D-02 0.470D-02-0.325D-01-0.899D-01 0.296D+00 0.818D+00
 Coeff:     -0.564D-06 0.218D-04-0.749D-05-0.263D-03-0.143D-03 0.804D-03
 Coeff:      0.309D-02 0.470D-02-0.325D-01-0.899D-01 0.296D+00 0.818D+00
 Gap=     0.371 Goal=   None    Shift=    0.000
 RMSDP=8.33D-09 MaxDP=5.82D-07 DE=-5.37D-11 OVMax= 2.56D-07

 SCF Done:  E(RwB97XD) =  -402.313919782     A.U. after   12 cycles
            NFock= 12  Conv=0.83D-08     -V/T= 2.0063
 KE= 3.998116832252D+02 PE=-1.753491767729D+03 EE= 5.442526845424D+02
 Leave Link  502 at Sun Sep 26 19:35:02 2021, MaxMem=  6442450944 cpu:            1969.6 elap:             246.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   283
 NBasis=   283 NAE=    32 NBE=    32 NFC=     0 NFV=     0
 NROrb=    283 NOA=    32 NOB=    32 NVA=   251 NVB=   251

 **** Warning!!: The largest alpha MO coefficient is  0.68337254D+02

 Leave Link  801 at Sun Sep 26 19:35:03 2021, MaxMem=  6442450944 cpu:               0.5 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         5894 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    6442450944 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.088559
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          19
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 1.34D-13 8.33D-09 XBig12= 1.00D+00 1.91D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 1.34D-13 8.33D-09 XBig12= 1.74D-01 5.67D-02.
     11 vectors produced by pass  2 Test12= 1.34D-13 8.33D-09 XBig12= 1.85D-02 2.37D-02.
     11 vectors produced by pass  3 Test12= 1.34D-13 8.33D-09 XBig12= 1.76D-03 9.42D-03.
     11 vectors produced by pass  4 Test12= 1.34D-13 8.33D-09 XBig12= 9.38D-05 2.00D-03.
     11 vectors produced by pass  5 Test12= 1.34D-13 8.33D-09 XBig12= 2.76D-06 3.11D-04.
     11 vectors produced by pass  6 Test12= 1.34D-13 8.33D-09 XBig12= 9.41D-08 4.29D-05.
     11 vectors produced by pass  7 Test12= 1.34D-13 8.33D-09 XBig12= 2.02D-09 7.83D-06.
     11 vectors produced by pass  8 Test12= 1.34D-13 8.33D-09 XBig12= 4.15D-11 1.12D-06.
      9 vectors produced by pass  9 Test12= 1.34D-13 8.33D-09 XBig12= 6.18D-13 1.00D-07.
      2 vectors produced by pass 10 Test12= 1.34D-13 8.33D-09 XBig12= 9.28D-15 1.24D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 1.77D-14
 Solved reduced A of dimension   110 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.882463D+02
      2  0.250961D+01  0.810521D+02
      3 -0.138382D+01  0.182166D+01  0.721924D+02
 Isotropic polarizability for W=    0.088559       80.50 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1   0.782515D+02 -0.184600D+02  0.701611D+01
      2  -0.345241D+02  0.131622D+02 -0.355912D+01
      3  -0.437273D+02  0.529774D+01 -0.345699D+01
      4  -0.241712D+02  0.613038D+02 -0.169042D+02
      5   0.683389D+01 -0.176928D+02  0.336973D+02
      6  -0.550753D+01 -0.213603D+01 -0.100174D+02
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1  -0.147718D+01 -0.282731D+00  0.154221D+01
      2   0.300959D+01 -0.493144D+01  0.236303D+02
      3   0.645401D+01 -0.364141D+02  0.564201D+01
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1  -0.788661D+00  0.142309D+01  0.153152D+02
      2   0.182220D+00 -0.113967D+02  0.774247D+02
      3  -0.571126D+01 -0.958279D+02  0.121853D+02
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1   0.158117D+00 -0.481052D+00 -0.798567D+00
      2  -0.481052D+00 -0.766752D+00  0.895556D+00
      3  -0.798567D+00  0.895556D+00 -0.157983D+00
 OR G Eigenvalues:    -1.4131    -0.6186     1.2651  Iso=     0.2555
 Eigenvectors:
   (1)  -0.066087   0.791897  -0.607068
   (2)   0.762534   0.432482   0.481145
   (3)   0.643563  -0.431112  -0.632431
 w=    0.088559 a.u., Optical Rotation Beta=      0.2555 au.
 Molar Mass =    117.1474 grams/mole, [Alpha] ( 5145.0 A) =      110.61 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   40186 ScalPx= 1.74D+02
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   40186 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 1.62D+04
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 2.23D-14 2.78D-09 XBig12= 1.00D+00 4.04D-01.
     30 vectors produced by pass  1 Test12= 2.23D-14 2.78D-09 XBig12= 2.57D-02 2.42D-02.
     30 vectors produced by pass  2 Test12= 2.23D-14 2.78D-09 XBig12= 1.05D-03 4.11D-03.
     30 vectors produced by pass  3 Test12= 2.23D-14 2.78D-09 XBig12= 1.39D-05 3.84D-04.
     30 vectors produced by pass  4 Test12= 2.23D-14 2.78D-09 XBig12= 1.74D-07 4.45D-05.
     30 vectors produced by pass  5 Test12= 2.23D-14 2.78D-09 XBig12= 1.35D-09 3.87D-06.
     30 vectors produced by pass  6 Test12= 2.23D-14 2.78D-09 XBig12= 9.71D-12 2.87D-07.
     30 vectors produced by pass  7 Test12= 2.23D-14 2.78D-09 XBig12= 5.87D-14 2.28D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 2.00D-15
 Solved reduced A of dimension   240 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   40186 ScalPx= 1.36D+04
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   40186 ScalPx= 1.36D+04
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   40186 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 2.87D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.882463D+02  0.250961D+01 -0.138382D+01
      2   0.250961D+01  0.810521D+02  0.182166D+01
      3  -0.138382D+01  0.182166D+01  0.721924D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.147718D+01 -0.282731D+00  0.154221D+01
      2   0.300959D+01 -0.493144D+01  0.236303D+02
      3   0.645401D+01 -0.364141D+02  0.564201D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.782515D+02 -0.184600D+02  0.701611D+01
      2  -0.345241D+02  0.131622D+02 -0.355912D+01
      3  -0.437273D+02  0.529774D+01 -0.345699D+01
      4  -0.241712D+02  0.613038D+02 -0.169042D+02
      5   0.683389D+01 -0.176928D+02  0.336973D+02
      6  -0.550753D+01 -0.213603D+01 -0.100174D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.969863D+00  0.444268D+01 -0.381366D+01  0.365650D+01 -0.113745D+01
      2   0.444268D+01 -0.138460D+01  0.502685D+00 -0.113745D+01 -0.377057D+01
      3  -0.381366D+01  0.502685D+00 -0.249648D+00  0.399431D+00 -0.288449D+00
                 6             7             8             9            10 
      1   0.399431D+00 -0.409131D+01  0.437693D+00 -0.387089D+00  0.159453D+00
      2  -0.288449D+00  0.437693D+00 -0.771441D+00  0.358584D+01 -0.431530D+01
      3   0.272561D+01 -0.387089D+00  0.358584D+01  0.455183D+01  0.236584D+01
                11            12            13            14            15 
      1  -0.431530D+01  0.236584D+01 -0.631678D+01  0.163059D+01 -0.429882D-01
      2   0.195760D+01 -0.749236D-01  0.163059D+01  0.456025D+01 -0.177204D+00
      3  -0.749236D-01  0.762113D+00 -0.429882D-01 -0.177204D+00 -0.234640D+01
                16            17            18            19            20 
      1   0.504311D+01 -0.793323D-01  0.113667D+01 -0.125213D+01  0.554516D+01
      2  -0.793323D-01  0.620273D+00 -0.280633D+01  0.554516D+01 -0.147826D+00
      3   0.113667D+01 -0.280633D+01 -0.762479D+01 -0.757149D+00  0.162149D+00
                21            22            23            24            25 
      1  -0.757149D+00  0.391840D+01 -0.113957D+01  0.319466D+00 -0.441636D+01
      2   0.162149D+00 -0.113957D+01 -0.292250D+01 -0.147106D-01 -0.305970D+00
      3  -0.712510D+00  0.319466D+00 -0.147106D-01  0.140809D+01 -0.849174D+00
                26            27            28            29            30 
      1  -0.305970D+00 -0.849174D+00 -0.916648D+00 -0.231669D+01 -0.405914D+00
      2  -0.199974D+01  0.162486D+01 -0.231669D+01  0.113069D+01  0.903006D+00
      3   0.162486D+01  0.625840D+01 -0.405914D+00  0.903006D+00  0.179733D+01
                31            32            33            34            35 
      1  -0.219284D+01 -0.221557D+00  0.131252D+01 -0.317057D+01  0.601078D+00
      2  -0.221557D+00 -0.117228D+01  0.423404D+00  0.601078D+00 -0.188029D-01
      3   0.131252D+01  0.423404D+00 -0.272382D+00  0.280522D+01 -0.396456D-01
                36            37            38            39            40 
      1   0.280522D+01  0.589404D+01  0.236038D+01 -0.170617D+01  0.198994D+01
      2  -0.396456D-01  0.236038D+01  0.151215D+01 -0.268155D+00  0.106593D+01
      3  -0.404854D+01 -0.170617D+01 -0.268155D+00 -0.179124D+00 -0.713745D+00
                41            42            43            44            45 
      1   0.106593D+01 -0.713745D+00 -0.368274D+01 -0.156662D+01 -0.207878D+01
      2  -0.154215D+01 -0.175524D+01 -0.156662D+01 -0.273260D+01 -0.156701D+01
      3  -0.175524D+01 -0.587502D+00 -0.207878D+01 -0.156701D+01 -0.402194D+01
                46            47            48            49            50 
      1   0.387064D+00  0.347994D+01 -0.329985D+01  0.429786D+01 -0.181269D+01
      2   0.347994D+01 -0.850092D+00  0.323706D+00 -0.181269D+01 -0.561647D+01
      3  -0.329985D+01  0.323706D+00 -0.173605D+01  0.522265D+00 -0.413431D+00
                51            52            53            54            55 
      1   0.522265D+00 -0.533713D+01  0.255577D+00 -0.273938D+01  0.223283D+01
      2  -0.413431D+00  0.255577D+00 -0.617025D+00  0.245177D+01 -0.235076D+01
      3   0.265014D+01 -0.273938D+01  0.245177D+01  0.528560D+01  0.117891D+01
                56            57            58            59            60 
      1  -0.235076D+01  0.117891D+01 -0.848698D+00  0.250322D+01 -0.909347D+00
      2   0.281544D+01 -0.533053D+00  0.250322D+01  0.393351D+01  0.555992D+00
      3  -0.533053D+00  0.242076D+01 -0.909347D+00  0.555992D+00 -0.134355D+01
                61            62            63            64            65 
      1   0.184815D+01 -0.121987D+01  0.261733D+01 -0.492011D+01  0.722862D+00
      2  -0.121987D+01  0.726815D+00 -0.155308D+01  0.722862D+00 -0.175101D+01
      3   0.261733D+01 -0.155308D+01 -0.305227D+01  0.334286D+01 -0.725671D+00
                66            67            68            69            70 
      1   0.334286D+01  0.170533D+01 -0.124443D+01 -0.704836D+00  0.613803D+01
      2  -0.725671D+00 -0.124443D+01  0.213136D+01  0.194576D+01  0.173002D+00
      3  -0.269203D+01 -0.704836D+00  0.194576D+01  0.732088D+00 -0.354999D+01
                71            72            73            74            75 
      1   0.173002D+00 -0.354999D+01  0.699797D+00 -0.657106D+00 -0.100428D+01
      2   0.332953D+01  0.737280D+00 -0.657106D+00  0.356714D+00  0.153227D-02
      3   0.737280D+00  0.875699D+01 -0.100428D+01  0.153227D-02  0.962332D+00
                76            77            78            79            80 
      1  -0.902309D+00  0.217811D+00 -0.286972D-01 -0.129070D+01  0.133874D+00
      2   0.217811D+00  0.111175D+00 -0.101230D+01  0.133874D+00 -0.136705D+01
      3  -0.286972D-01 -0.101230D+01 -0.779339D+00  0.361650D+00 -0.261910D+00
                81            82            83            84            85 
      1   0.361650D+00 -0.412305D+00  0.932454D+00  0.684051D+00  0.115236D+01
      2  -0.261910D+00  0.932454D+00 -0.418881D+00 -0.640702D-03 -0.237118D+00
      3  -0.727717D+01  0.684051D+00 -0.640702D-03 -0.263293D+00  0.456795D-01
                86            87            88            89            90 
      1  -0.237118D+00  0.456795D-01  0.131209D+01 -0.274562D-01  0.144759D-01
      2   0.242571D+00  0.128393D+01 -0.274562D-01  0.193975D+01  0.124998D+01
      3   0.128393D+01  0.150557D+01  0.144759D-01  0.124998D+01  0.770237D+01
                91            92            93            94            95 
      1  -0.877963D+01 -0.395346D+01 -0.605393D+00 -0.303219D+01 -0.222796D+01
      2  -0.395346D+01 -0.291657D+01 -0.384029D+00 -0.222796D+01 -0.217356D+01
      3  -0.605393D+00 -0.384029D+00 -0.130105D+01 -0.129763D+00 -0.340638D+00
                96            97            98            99           100 
      1  -0.129763D+00  0.242891D+01  0.118158D+01 -0.749295D+00 -0.194668D+01
      2  -0.340638D+00  0.118158D+01  0.719434D+00 -0.373625D+00  0.254171D+01
      3  -0.622292D+00 -0.749295D+00 -0.373625D+00 -0.321114D-01 -0.128221D+01
               101           102           103           104           105 
      1   0.254171D+01 -0.128221D+01  0.220450D+01 -0.232038D+01  0.112919D+01
      2  -0.323866D+01  0.143673D+01 -0.232038D+01  0.461576D+01 -0.155762D+01
      3   0.143673D+01 -0.139684D+01  0.112919D+01 -0.155762D+01  0.138747D+01
               106           107           108           109           110 
      1  -0.224365D+01  0.177971D+01 -0.160763D+01 -0.263654D+00  0.717476D+00
      2   0.177971D+01 -0.324758D+01  0.204261D+01  0.717476D+00 -0.831313D+00
      3  -0.160763D+01  0.204261D+01 -0.217588D+01  0.286441D+00 -0.564432D+00
               111           112           113           114           115 
      1   0.286441D+00  0.708071D+00 -0.362986D+00 -0.534734D+00  0.145168D+01
      2  -0.564432D+00 -0.362986D+00  0.154481D+01  0.870073D+00 -0.476712D+00
      3  -0.872638D+00 -0.534734D+00  0.870073D+00  0.123564D+01 -0.986232D+00
               116           117           118           119           120 
      1  -0.476712D+00 -0.986232D+00  0.710824D+01 -0.169995D+01  0.235118D+01
      2   0.294574D+01  0.207685D+01 -0.169995D+01  0.131082D+01 -0.554057D+00
      3   0.207685D+01  0.488845D+01  0.235118D+01 -0.554057D+00  0.186814D+01
               121           122           123           124           125 
      1  -0.340480D+01  0.170212D+01 -0.762485D+00  0.458012D+01 -0.744330D+00
      2   0.170212D+01 -0.812743D+00  0.741639D+00 -0.744330D+00  0.110619D+01
      3  -0.762485D+00  0.741639D+00 -0.113130D+01  0.232128D+01 -0.878467D+00
               126           127           128           129           130 
      1   0.232128D+01  0.105878D+01 -0.460950D+00 -0.809228D+00 -0.129293D+01
      2  -0.878467D+00 -0.460950D+00  0.241779D+00  0.109184D+00  0.609787D+00
      3   0.159754D+01 -0.809228D+00  0.109184D+00  0.903047D+00  0.477908D+00
               131           132           133           134           135 
      1   0.609787D+00  0.477908D+00 -0.239565D+01  0.182888D+00  0.248327D+01
      2  -0.290995D+00 -0.100392D+01  0.182888D+00 -0.148052D+01 -0.987306D+00
      3  -0.100392D+01 -0.166071D+01  0.248327D+01 -0.987306D+00 -0.705689D+01
               136           137           138           139           140 
      1   0.874922D+00  0.939933D+00  0.288662D+00  0.258491D+01  0.214946D+01
      2   0.939933D+00  0.138098D+01 -0.444339D-01  0.214946D+01  0.761214D+01
      3   0.288662D+00 -0.444339D-01  0.339589D+00 -0.150231D+00 -0.405304D-01
               141           142           143           144           145 
      1  -0.150231D+00  0.586555D+00  0.358096D-01  0.685240D+00 -0.523153D+01
      2  -0.405304D-01  0.358096D-01  0.231884D+00  0.611073D+00 -0.201068D+01
      3   0.921160D+00  0.685240D+00  0.611073D+00 -0.399899D+00  0.167608D+01
               146           147           148           149           150 
      1  -0.201068D+01  0.167608D+01 -0.146674D+01 -0.160110D+01  0.666578D+00
      2  -0.294714D+01  0.951122D+00 -0.160110D+01 -0.176897D+01  0.813205D+00
      3   0.951122D+00 -0.144793D+01  0.666578D+00  0.813205D+00 -0.965016D+00
               151           152           153           154           155 
      1   0.200902D+01  0.814352D+00 -0.117985D+01 -0.940094D-01 -0.837123D+00
      2   0.814352D+00  0.161676D+01 -0.136664D+01 -0.837123D+00  0.218739D+00
      3  -0.117985D+01 -0.136664D+01  0.111449D+01 -0.429654D+00  0.213215D-01
               156           157           158           159           160 
      1  -0.429654D+00 -0.601440D+00  0.153198D+00 -0.242430D-01 -0.106714D+01
      2   0.213215D-01  0.153198D+00 -0.152053D+01 -0.135055D+01  0.132458D+00
      3   0.160997D+00 -0.242430D-01 -0.135055D+01 -0.157259D+01  0.219397D+00
               161           162           163           164           165 
      1   0.132458D+00  0.219397D+00  0.443171D+01 -0.308058D+01  0.193948D+01
      2  -0.322986D+01 -0.271363D+01 -0.308058D+01  0.356118D+01 -0.126204D+01
      3  -0.271363D+01 -0.598147D+01  0.193948D+01 -0.126204D+01  0.163682D+01
               166           167           168           169           170 
      1  -0.215916D+01  0.227312D+01 -0.871968D+00  0.229758D+01 -0.130773D+01
      2   0.227312D+01 -0.316082D+01  0.132060D+01 -0.130773D+01  0.222825D+01
      3  -0.871968D+00  0.132060D+01 -0.128468D+01  0.148290D+01 -0.183262D+01
               171 
      1   0.148290D+01
      2  -0.183262D+01
      3   0.151528D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.708601D+01  0.519836D+00 -0.942229D-01  0.141469D+00 -0.380489D+01
      2  -0.452412D+01 -0.101816D+00  0.218613D+01 -0.184254D+00  0.328522D+00
      3  -0.824457D+01 -0.123281D+02  0.789657D+01 -0.572538D+01  0.673488D+01
                 6             7             8             9            10 
      1   0.435914D+01 -0.704989D+00  0.111105D+02  0.101088D+02 -0.955274D-02
      2   0.280697D+01 -0.128751D+01  0.376427D+01  0.491949D+01  0.377077D+01
      3  -0.539772D+00  0.830756D+01 -0.589040D+00 -0.372957D+01  0.605769D+01
                11            12            13            14            15 
      1   0.137212D+00  0.239238D+00 -0.559828D+00  0.251286D+01 -0.328638D+01
      2  -0.515069D-01  0.318638D+01 -0.100441D+01 -0.276944D+00 -0.302347D+01
      3  -0.404667D+01 -0.610063D+00  0.217076D+01 -0.704258D+01  0.409413D+00
                16            17            18            19            20 
      1   0.177443D+00  0.326725D+01 -0.273938D+01 -0.172095D+01 -0.161366D+01
      2  -0.320894D+01 -0.362696D+01 -0.927044D+01  0.264764D+01 -0.721499D+00
      3   0.162018D+01 -0.560830D+00  0.344532D+01  0.820341D+00 -0.312002D+01
                21            22            23            24            25 
      1  -0.405246D+00 -0.501755D-01  0.396980D+01 -0.100808D+01  0.605786D+00
      2   0.212337D+01  0.292818D+00 -0.250435D+01  0.116173D+01 -0.773485D+01
      3   0.942992D+00  0.106006D+01 -0.357419D+01  0.131480D+01 -0.336088D+01
                26            27            28            29            30 
      1   0.413113D+01 -0.356697D+01  0.328879D+00  0.238681D+01  0.261645D+01
      2  -0.154090D+00  0.267876D+00 -0.616581D+01  0.591219D+00 -0.245756D+01
      3   0.129683D+01 -0.554042D+00 -0.987807D+01  0.483158D+01 -0.147385D+01
                31            32            33            34            35 
      1  -0.290353D+00 -0.616312D+01 -0.608021D+01  0.203614D+01 -0.263969D+01
      2   0.339283D+01  0.212904D+01 -0.194059D+01 -0.322476D+01 -0.935792D+00
      3   0.150594D+02  0.899472D+01 -0.205663D+01 -0.782916D+01 -0.780805D+01
                36            37            38            39            40 
      1   0.499532D+01 -0.232897D+01  0.559542D+00 -0.859725D+00 -0.879968D+00
      2   0.959132D+01  0.661345D+01  0.212802D+01  0.160301D+01 -0.623704D+00
      3  -0.136131D+01  0.236825D+01 -0.582285D+00  0.813311D+00  0.251873D+01
                41            42            43            44            45 
      1   0.186858D+01 -0.218415D+01  0.239676D+01  0.549640D+01 -0.280977D+01
      2   0.330451D+01  0.139360D+01 -0.519542D+01  0.901814D+00  0.789939D+01
      3  -0.499100D+01 -0.261179D+01  0.271572D+01 -0.189742D+01 -0.182097D+01
                46            47            48            49            50 
      1   0.486034D+00  0.692715D+00  0.362944D-01  0.155741D+01  0.214196D+01
      2  -0.106463D+02  0.138464D+01 -0.457881D+01  0.250056D+01 -0.161698D+01
      3  -0.882238D+01  0.211980D+01 -0.194178D+01  0.105906D+02  0.178992D+02
                51            52            53            54            55 
      1  -0.268604D+01  0.105315D+01  0.862600D+00 -0.219640D+01 -0.140654D+01
      2   0.734744D+01 -0.125558D+02  0.671128D+01  0.142537D+02  0.149666D+01
      3   0.588468D+00 -0.358298D+01  0.146863D+01 -0.804254D+01  0.639347D+01
                56            57            58            59            60 
      1   0.287004D+01 -0.740594D+01  0.203749D+01 -0.411037D+01 -0.892469D+00
      2   0.566201D+00  0.427708D+01  0.524155D+00  0.168980D+01  0.268313D+00
      3  -0.111383D+02  0.256790D+01  0.259512D+01  0.667465D+01 -0.223746D+01
                61            62            63            64            65 
      1  -0.725570D+01  0.879955D+01  0.727318D+01 -0.155885D-01 -0.382747D+01
      2  -0.487994D+00  0.324649D+00 -0.894142D+00  0.243739D+00  0.153369D+01
      3   0.327188D+01 -0.276824D+01  0.769431D+01  0.205849D+01 -0.740866D+01
                66            67            68            69            70 
      1  -0.889493D-01 -0.381275D+00  0.146663D+01 -0.915699D+00 -0.113434D+01
      2   0.826051D+01  0.177308D+00 -0.451494D+01 -0.104779D+01 -0.308791D+01
      3  -0.508914D+00 -0.259419D+01  0.420367D+00  0.428037D+01  0.440478D+01
                71            72            73            74            75 
      1   0.706663D+01 -0.825987D+00  0.915588D+00 -0.463383D+00  0.873877D-02
      2  -0.192100D+01 -0.161771D+02  0.713241D+00 -0.276261D+00  0.443052D+00
      3   0.784823D+01  0.222385D+01  0.137103D+00 -0.923883D+00 -0.625302D+00
                76            77            78            79            80 
      1  -0.546050D-01  0.778078D+00 -0.696009D-01 -0.303649D+00  0.387800D+01
      2  -0.727755D+00  0.128808D+00 -0.368921D+00 -0.372617D+01  0.143032D+00
      3   0.138405D+01  0.142758D+00 -0.815960D-01  0.632603D-01  0.261768D+00
                81            82            83            84            85 
      1   0.373147D+01  0.107648D+01 -0.648134D+00 -0.204476D-01 -0.273916D+00
      2   0.292774D+00  0.170728D+01 -0.552799D+00  0.193442D+00 -0.138035D+01
      3  -0.344446D+00 -0.126739D+01 -0.711354D+00 -0.113799D+00  0.139387D+01
                86            87            88            89            90 
      1   0.104563D+01 -0.330147D+00 -0.455018D+00  0.431348D+01  0.193442D+01
      2   0.199663D+01  0.180122D+01 -0.406111D+01  0.200856D+01  0.939129D+01
      3  -0.393291D+00 -0.137487D+01  0.296306D+00 -0.209517D+01 -0.142467D+01
                91            92            93            94            95 
      1   0.320697D+01  0.199816D+01 -0.131863D+01  0.189887D+01  0.156920D+01
      2  -0.582251D+01 -0.265378D+01  0.358677D+01 -0.284002D+01 -0.161503D+01
      3   0.458934D-01 -0.443683D+01 -0.701833D+00 -0.996449D+00 -0.312667D+01
                96            97            98            99           100 
      1  -0.556129D+00 -0.103000D+01 -0.212613D+00  0.768574D+00  0.254195D+01
      2   0.162563D+01  0.212499D+01  0.100405D+01 -0.165446D+01 -0.187112D+01
      3   0.180778D+00  0.655969D+00  0.153075D+01 -0.285854D+00 -0.609740D+01
               101           102           103           104           105 
      1  -0.257095D+01  0.424496D+01 -0.254081D+01  0.231959D+01 -0.382180D+01
      2   0.372988D+00  0.636978D+00  0.854983D+00 -0.447762D+00 -0.274236D+00
      3   0.465870D+01 -0.325757D+01  0.755696D+01 -0.542460D+01  0.310282D+01
               106           107           108           109           110 
      1   0.365376D+01 -0.276509D+01  0.454388D+01 -0.988845D+00  0.901935D+00
      2  -0.179605D+01  0.364946D+00  0.181593D-01  0.735472D+00  0.519454D-01
      3  -0.655940D+01  0.423679D+01 -0.433130D+01 -0.120659D+01  0.384617D+00
               111           112           113           114           115 
      1   0.314847D+01  0.106879D+01 -0.282791D+01 -0.350076D+01  0.323026D+01
      2  -0.322270D+00  0.241254D+00  0.284123D+00 -0.168126D+00 -0.272631D+01
      3   0.705164D+00  0.173492D+01 -0.143702D+01 -0.145386D+01  0.427024D+01
               116           117           118           119           120 
      1  -0.337854D+01 -0.127415D+02 -0.279719D+00  0.483813D+00  0.336358D+00
      2   0.161531D+00  0.876502D+00  0.709732D+01 -0.203512D+01  0.804255D+01
      3  -0.146661D+01 -0.350968D+01  0.588825D+01 -0.674666D+01  0.253205D+01
               121           122           123           124           125 
      1  -0.165796D+00 -0.497208D+00 -0.707439D+00 -0.145225D+00  0.148960D+01
      2  -0.225081D+01  0.231117D+01 -0.454449D+01  0.560552D+01 -0.286923D+01
      3  -0.407518D+01  0.362745D+01 -0.223279D+01  0.293741D+01 -0.450523D+01
               126           127           128           129           130 
      1   0.145002D+00  0.454481D+00 -0.289378D+00 -0.494980D+00 -0.120515D-01
      2   0.562111D+01 -0.215003D+01  0.156738D+00  0.382843D+01  0.260677D+00
      3   0.320299D+01  0.158024D+01 -0.174285D+01 -0.688059D+00 -0.799636D+00
               131           132           133           134           135 
      1   0.925393D+00 -0.228857D+00 -0.628778D+00  0.370373D+01  0.200344D+01
      2  -0.255498D+01 -0.470817D+01  0.304523D+01 -0.301307D+01 -0.198693D+02
      3   0.102739D+01  0.246000D+01 -0.566795D+00  0.495205D+01  0.398826D+01
               136           137           138           139           140 
      1  -0.256490D+00 -0.426085D+00 -0.603254D+00 -0.234818D+00 -0.169315D+01
      2   0.101100D+01 -0.117583D+00  0.137602D+01 -0.665334D-01  0.354787D+00
      3  -0.212176D+01 -0.367125D+01  0.256478D+00 -0.728792D+00 -0.230205D+02
               141           142           143           144           145 
      1  -0.262146D+01 -0.567445D+00  0.698834D+00  0.218929D+00  0.294959D+01
      2   0.338492D+01  0.459532D+00  0.159355D+01 -0.115179D+01  0.475340D+01
      3  -0.241496D-01  0.382937D+00 -0.526018D+00 -0.956808D+00  0.162945D+02
               146           147           148           149           150 
      1  -0.440171D-01 -0.377886D+01  0.630428D+00  0.939843D+00 -0.267464D+01
      2   0.116706D+01 -0.137332D+00  0.112987D+01  0.145280D+01 -0.353052D+00
      3   0.432123D+01 -0.463526D+01  0.628472D+01  0.426830D+01 -0.240095D+01
               151           152           153           154           155 
      1  -0.259317D+01 -0.767771D+00  0.176362D+01 -0.998357D+00 -0.425662D-01
      2  -0.338610D+01 -0.131501D+01  0.849408D+00 -0.500989D+00  0.177183D+00
      3  -0.575036D+01 -0.230924D+01  0.382370D+01  0.157089D+01  0.441631D+00
               156           157           158           159           160 
      1   0.133132D+00  0.106687D-01 -0.279266D+01 -0.525009D+01  0.350478D+00
      2   0.792886D+00 -0.363929D+00 -0.124087D+01 -0.139643D+01 -0.248920D+01
      3   0.649713D+00  0.237342D+01  0.109580D+01  0.134714D+01  0.308936D+01
               161           162           163           164           165 
      1  -0.311705D+01 -0.143717D+02  0.313104D+01 -0.624424D+00  0.430661D+01
      2  -0.264511D+01 -0.613177D+01  0.199716D+00 -0.709244D+00  0.305827D+01
      3   0.346306D+01  0.276019D+01 -0.683393D+01 -0.431584D+00 -0.271777D+01
               166           167           168           169           170 
      1  -0.121034D+01  0.144167D+01 -0.364410D+01  0.257149D+01 -0.140603D+01
      2   0.673161D-01  0.791658D+00 -0.196455D+01 -0.394566D+00 -0.175058D+01
      3   0.432453D+01 -0.622516D+00  0.641354D+00 -0.436603D+01 -0.532270D+00
               171 
      1   0.267509D+01
      2   0.185676D+01
      3  -0.777431D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.101317D+02  0.900917D+01 -0.818760D+01  0.570626D+01 -0.134119D+02
      2  -0.136532D+02 -0.163612D+01  0.349682D+01  0.152877D+00  0.193075D+02
      3   0.352150D+01 -0.737305D+01  0.469078D+01 -0.585914D+01 -0.589568D+01
      4   0.693573D+01 -0.191684D+02  0.152066D+02 -0.167649D+02 -0.149957D+01
      5  -0.765185D+01  0.778696D+01 -0.482321D+01  0.537559D+01 -0.186759D+01
      6   0.187375D+02 -0.248251D+01  0.109200D+01 -0.216582D+01  0.312914D+01
                 6             7             8             9            10 
      1   0.110826D+01 -0.901926D+01  0.202481D+01  0.702654D+01 -0.148520D+02
      2   0.824695D+00  0.278443D+01  0.129935D+01 -0.104669D+02  0.105029D+02
      3  -0.193295D+01  0.623483D+01 -0.332416D+01  0.344032D+01  0.434910D+01
      4  -0.242896D+01  0.141650D+02 -0.427182D+01  0.860246D+01 -0.106868D+02
      5   0.639144D+01 -0.575632D+01  0.838006D+01  0.959869D+01  0.950061D+01
      6  -0.119594D+02  0.204384D+01 -0.167941D+02 -0.171135D+02 -0.311757D+01
                11            12            13            14            15 
      1  -0.114392D+02  0.725801D+01 -0.137521D+02  0.140040D+02  0.216343D+01
      2   0.555652D+01 -0.558665D+01  0.774054D+01 -0.146078D+02  0.850523D+00
      3   0.588266D+01 -0.167136D+01  0.601155D+01  0.603758D+00 -0.301395D+01
      4   0.670110D+01 -0.770872D+00  0.781009D+01  0.803669D+01 -0.902467D-01
      5  -0.223911D+00  0.953085D+00 -0.441029D+00  0.229612D+00 -0.702976D+01
      6   0.833698D+00 -0.864776D+00  0.102851D+01 -0.198412D+00 -0.235953D+00
                16            17            18            19            20 
      1   0.128931D+02  0.157029D+01  0.666408D+01 -0.142022D+02 -0.615618D+01
      2  -0.588783D+01  0.303374D+01  0.631654D+01  0.123752D+02  0.695433D+01
      3  -0.700526D+01 -0.460403D+01 -0.129806D+02  0.182695D+01 -0.798150D+00
      4  -0.151259D+01 -0.100919D+00 -0.683371D+01 -0.239775D+01  0.863326D+00
      5   0.749866D+01 -0.666335D+01 -0.183520D+02 -0.379871D+01 -0.740185D+00
      6  -0.102100D+01  0.532676D+01 -0.163538D+01 -0.434596D+00 -0.196871D+01
                21            22            23            24            25 
      1  -0.142236D+01  0.459284D+01  0.676082D+01  0.130375D+01 -0.373585D+01
      2  -0.419838D+00 -0.531488D+01 -0.176934D+02  0.205446D+01 -0.102226D+01
      3   0.184219D+01  0.722041D+00  0.109326D+02 -0.335821D+01  0.475811D+01
      4   0.124120D+00 -0.127332D+02 -0.503556D+01 -0.190544D+00  0.367571D+01
      5   0.150711D+01  0.773764D+00 -0.542357D+00  0.183451D+01  0.749422D+00
      6   0.416769D+00  0.438318D+00  0.772037D+00 -0.205533D+01  0.161931D+01
                26            27            28            29            30 
      1   0.526001D+01  0.529341D+01  0.168619D+01  0.590772D+01 -0.895840D+00
      2  -0.375654D+01  0.954321D+01  0.541532D+01 -0.232763D+01 -0.442216D+01
      3  -0.150347D+01 -0.148366D+02 -0.710151D+01 -0.358008D+01  0.531800D+01
      4  -0.185578D+01  0.110945D+01  0.641288D+01 -0.164508D+01 -0.633793D+01
      5   0.194965D+01  0.231074D+01  0.589817D+01 -0.488244D+01 -0.171208D+02
      6   0.333076D+01  0.522368D+01 -0.299431D+01  0.626623D+00 -0.338832D+01
                31            32            33            34            35 
      1   0.105223D+02  0.245587D+01 -0.281422D+01  0.123053D+02  0.278763D+00
      2  -0.517629D+01  0.332560D+00  0.493457D+01 -0.726461D+01 -0.593895D+01
      3  -0.534604D+01 -0.278843D+01 -0.212034D+01 -0.504074D+01  0.566019D+01
      4   0.533206D+01 -0.337748D+01 -0.108084D+01 -0.987267D+01  0.453405D+01
      5  -0.119075D+02 -0.363583D-01 -0.544027D+01 -0.235849D+02 -0.232343D+01
      6  -0.154449D+01 -0.734265D+01  0.802329D+00 -0.349643D+01 -0.700659D+01
                36            37            38            39            40 
      1  -0.586591D+01 -0.205673D+02 -0.108528D+02  0.700947D+01 -0.137361D+02
      2   0.111020D+02  0.374594D+01  0.356786D+01 -0.503481D+01  0.481782D+01
      3  -0.523609D+01  0.168214D+02  0.728496D+01 -0.197466D+01  0.891828D+01
      4   0.316505D+00 -0.161745D+02 -0.481868D+01  0.345831D+01 -0.216742D+00
      5   0.165700D+02  0.705931D+01  0.968407D+00  0.102456D+02  0.475297D+01
      6  -0.278985D+01  0.204056D+01  0.236628D+01  0.179744D+01  0.301344D+01
                41            42            43            44            45 
      1  -0.129772D+02 -0.241650D+01  0.135741D+02  0.121118D+01 -0.303635D+01
      2   0.128186D+02  0.130797D+01 -0.988558D+01  0.165577D+00 -0.921911D+01
      3   0.158591D+00  0.110853D+01 -0.368854D+01 -0.137676D+01  0.122555D+02
      4   0.695752D+01  0.779351D+01  0.114255D+02  0.100662D+02  0.524412D+01
      5   0.717716D+01  0.589610D+01  0.181743D+02  0.845088D+01  0.217583D+02
      6   0.749690D+01  0.830239D+01  0.456762D+01  0.109243D+02  0.867369D+01
                46            47            48            49            50 
      1   0.131264D+01  0.208302D+02 -0.210363D+02  0.236088D+02 -0.767861D+01
      2  -0.142471D+01 -0.129530D+02  0.103462D+02 -0.161656D+02 -0.859435D+00
      3   0.112067D+00 -0.787721D+01  0.106901D+02 -0.744320D+01  0.853805D+01
      4   0.205297D+02 -0.496633D+01  0.197388D+01 -0.100654D+02 -0.267444D+02
      5  -0.230578D+02  0.257958D+01 -0.105366D+02  0.366376D+01 -0.429301D+01
      6   0.808794D-01  0.118352D+00  0.856657D+00 -0.725983D+00 -0.392568D+00
                51            52            53            54            55 
      1   0.542504D+01 -0.279721D+02  0.393890D+01 -0.871888D+01  0.158710D+02
      2  -0.656426D+00  0.121037D+02 -0.146870D+00  0.129849D+02 -0.133833D+02
      3  -0.476861D+01  0.158684D+02 -0.379203D+01 -0.426604D+01 -0.248768D+01
      4  -0.248872D+01  0.315079D+01 -0.141265D+01  0.132405D+02  0.712495D+01
      5   0.151146D+02 -0.178093D+02  0.139318D+02  0.266799D+02 -0.911429D+00
      6   0.952345D+00  0.178581D+01 -0.126872D+01 -0.148830D+01  0.630088D+01
                56            57            58            59            60 
      1  -0.594501D+01  0.712160D+00 -0.687943D+01 -0.152431D+02 -0.597167D+00
      2   0.980864D+01 -0.146134D+01  0.134482D+02  0.297397D+02  0.238826D+01
      3  -0.386363D+01  0.749182D+00 -0.656879D+01 -0.144966D+02 -0.179109D+01
      4  -0.585875D+01  0.483476D+01  0.480631D+01  0.162285D+02 -0.324098D+01
      5   0.214291D+01  0.120608D+01  0.189050D+01 -0.202701D+01  0.206023D+01
      6  -0.452768D+01  0.128185D+02 -0.524650D+01  0.393272D+01 -0.967323D+00
                61            62            63            64            65 
      1   0.320563D+01  0.102295D+01  0.411347D+01  0.258750D+02 -0.141352D+01
      2  -0.281893D+01  0.285314D+01 -0.624553D+01 -0.193877D+02 -0.132767D+01
      3  -0.386709D+00 -0.387609D+01  0.213206D+01 -0.648726D+01  0.274120D+01
      4   0.525047D+01 -0.305514D+01  0.115770D+02 -0.727536D+01  0.105611D+02
      5   0.339859D+01  0.416177D+01 -0.168294D+01 -0.207297D+02  0.485434D+01
      6   0.140697D+02 -0.451980D+01 -0.128362D+02  0.160377D+01 -0.335578D+01
                66            67            68            69            70 
      1  -0.917613D+01 -0.693198D+01 -0.155259D+01  0.981299D+00 -0.152258D+02
      2   0.118267D+02  0.496354D+01  0.386257D+01 -0.116757D+01  0.158351D+02
      3  -0.265057D+01  0.196844D+01 -0.230998D+01  0.186269D+00 -0.609287D+00
      4   0.554938D+01  0.102824D+02 -0.545404D+01 -0.841221D+01  0.453698D+01
      5   0.231354D+02  0.484982D+01 -0.968063D+01 -0.233861D+01  0.273259D+02
      6  -0.226224D+00 -0.330701D+01  0.259291D+01  0.815655D+01 -0.149074D+01
                71            72            73            74            75 
      1  -0.333588D+01 -0.256177D+01  0.103840D+01  0.146967D+00  0.109851D+01
      2   0.526919D+01 -0.213158D+02 -0.395978D+01  0.227978D-01  0.103251D+01
      3  -0.193331D+01  0.238776D+02  0.292138D+01 -0.169765D+00 -0.213102D+01
      4  -0.998162D+01 -0.678725D+01  0.351137D+00  0.158082D+01 -0.613147D+00
      5  -0.366232D+01 -0.399722D+02 -0.127376D+01  0.154182D+00  0.556686D+01
      6   0.908641D+01  0.616267D+00 -0.917830D+00 -0.759168D+00  0.462762D+00
                76            77            78            79            80 
      1   0.315627D+00 -0.372545D+01 -0.916608D+00  0.120551D+00  0.738508D+00
      2   0.113725D+00  0.111873D+01 -0.195637D+01  0.148027D+01 -0.279183D+01
      3  -0.429353D+00  0.260672D+01  0.287297D+01 -0.160082D+01  0.205332D+01
      4   0.179217D+01 -0.246488D+00 -0.352681D+00 -0.783401D+00 -0.515839D-01
      5   0.156875D+00 -0.730467D+00 -0.845076D+00  0.416903D+01  0.291380D-01
      6  -0.261480D+00  0.452122D+00  0.516385D+01  0.695624D-01  0.387349D+01
                81            82            83            84            85 
      1  -0.153738D+02  0.217629D+01  0.222435D+01  0.230096D+01  0.284955D+01
      2  -0.144307D+02 -0.423538D+01 -0.893572D+00 -0.364369D+00 -0.176133D+01
      3   0.298045D+02  0.205909D+01 -0.133078D+01 -0.193659D+01 -0.108822D+01
      4   0.563683D+00  0.213076D+01  0.804902D+00  0.474315D+00  0.120801D+01
      5  -0.187634D+01  0.921106D+00  0.653684D+00  0.524725D+01  0.361046D+00
      6  -0.558335D+01  0.731529D+00 -0.311447D+00 -0.469023D+00  0.191685D+00
                86            87            88            89            90 
      1  -0.528529D+01 -0.259073D+01  0.361431D+01 -0.153440D+01 -0.156176D+02
      2   0.192499D+01 -0.136310D+01 -0.222486D+01 -0.311355D+01 -0.144447D+02
      3   0.336030D+01  0.395383D+01 -0.138945D+01  0.464796D+01  0.300623D+02
      4   0.539954D+00  0.280093D+01  0.677422D+00  0.356829D+01  0.348206D+01
      5   0.311885D+01  0.356921D+01  0.354694D+01  0.310049D+01  0.176149D+02
      6   0.300665D+01  0.709657D+01  0.221528D+00  0.442629D+01  0.288315D+01
                91            92            93            94            95 
      1   0.446865D+02  0.168645D+02  0.109656D+01  0.101156D+02  0.701143D+01
      2  -0.190459D+02 -0.544167D+01 -0.159360D+01 -0.155616D+01  0.833275D+00
      3  -0.256406D+02 -0.114228D+02  0.497038D+00 -0.855948D+01 -0.784470D+01
      4   0.263092D+02  0.165854D+02  0.178198D+01  0.154930D+02  0.127369D+02
      5   0.830314D+01  0.386718D+01  0.636725D+01  0.248178D+01  0.248692D+01
      6   0.177917D+01  0.186520D+01  0.180015D+01  0.153572D+01  0.131929D+01
                96            97            98            99           100 
      1   0.668019D+00 -0.116740D+02 -0.498353D+01  0.272806D+01 -0.269290D+01
      2  -0.882513D+00  0.361016D+01  0.642984D+00 -0.116393D+01  0.739323D+01
      3   0.214494D+00  0.806383D+01  0.434054D+01 -0.156413D+01 -0.470033D+01
      4   0.732120D+00 -0.801042D+01 -0.516425D+01  0.295899D+01 -0.100374D+02
      5   0.280446D+01  0.458842D+01  0.207662D+01 -0.221899D+00  0.364220D+01
      6   0.195957D+01  0.240596D+01  0.187089D+01 -0.457935D+00 -0.746247D+01
               101           102           103           104           105 
      1   0.779688D+01 -0.309082D+01  0.507705D+01 -0.122117D+02  0.440271D+01
      2  -0.138093D+02  0.471353D+01 -0.990807D+01  0.208490D+02 -0.693021D+01
      3   0.601241D+01 -0.162271D+01  0.483103D+01 -0.863730D+01  0.252750D+01
      4   0.145594D+02 -0.677289D+01  0.125878D+02 -0.124251D+02  0.580553D+01
      5  -0.377976D+01  0.432594D+01 -0.214145D+01  0.339593D+01 -0.195508D+01
      6   0.943660D+01 -0.861337D+01  0.730704D+01 -0.105050D+02  0.899715D+01
               106           107           108           109           110 
      1  -0.422248D+01  0.808031D+01 -0.663370D+01 -0.174847D+01  0.257807D+01
      2   0.512777D+01 -0.102969D+02  0.516081D+01  0.219513D+01 -0.377991D+01
      3  -0.905288D+00  0.221656D+01  0.147290D+01 -0.446658D+00  0.120184D+01
      4  -0.907025D+01  0.849496D+01 -0.736702D+01 -0.103630D+01  0.461108D+01
      5   0.423626D+01 -0.351929D+01  0.396739D+01 -0.105018D+01  0.341257D+00
      6  -0.888048D+01  0.126233D+02 -0.115081D+02  0.101279D+01 -0.346419D+01
               111           112           113           114           115 
      1   0.165338D+01  0.841356D+00 -0.504601D+01 -0.280241D+01  0.104158D+01
      2  -0.219371D+01 -0.161270D+01  0.717618D+01  0.390718D+01 -0.150139D+01
      3   0.540331D+00  0.771341D+00 -0.213017D+01 -0.110477D+01  0.459809D+00
      4   0.105931D+01  0.413963D+01 -0.225964D+01 -0.259167D+01  0.479703D+01
      5   0.204575D+01  0.201024D+00 -0.120324D+01 -0.953236D+00  0.160556D+01
      6  -0.484693D+01 -0.298621D+01  0.466243D+01  0.805110D+01 -0.516940D+01
               116           117           118           119           120 
      1  -0.915893D+01 -0.940307D+01  0.530838D+02 -0.109320D+02  0.161639D+02
      2   0.105696D+02  0.405013D+01 -0.284412D+02  0.532423D+01 -0.924880D+01
      3  -0.141066D+01  0.535294D+01 -0.246426D+02  0.560777D+01 -0.691509D+01
      4  -0.357128D+01 -0.407790D+01 -0.113964D+02  0.109211D+02 -0.366491D+01
      5  -0.127283D+01 -0.198502D+01  0.188664D+02 -0.416893D+01  0.152076D+02
      6   0.114909D+02  0.230793D+02 -0.304341D+00  0.491185D+00 -0.120191D+00
               121           122           123           124           125 
      1  -0.207530D+02  0.797259D+01 -0.462379D+01  0.266559D+02 -0.402164D+01
      2   0.107860D+02 -0.195511D+01  0.217730D+01 -0.157405D+02  0.208530D+01
      3   0.996699D+01 -0.601748D+01  0.244648D+01 -0.109154D+02  0.193634D+01
      4   0.130645D+02 -0.703562D+01  0.508270D+01 -0.540898D+01  0.729387D+01
      5  -0.656973D+01  0.527657D+01 -0.812244D+01  0.190005D+02 -0.596197D+01
      6   0.128002D+01 -0.159021D+01  0.197057D+01 -0.932273D+00  0.228881D+01
               126           127           128           129           130 
      1   0.112314D+02  0.696086D+01 -0.300787D+01 -0.455327D+01 -0.686682D+01
      2  -0.101411D+02 -0.605247D+01  0.209870D+01  0.398509D+01  0.456194D+01
      3  -0.109028D+01 -0.908392D+00  0.909169D+00  0.568179D+00  0.230488D+01
      4  -0.534007D+01 -0.276148D+01  0.273526D+01  0.999455D+00  0.469487D+01
      5   0.130178D+02 -0.552528D+01  0.133294D+01  0.106731D+02  0.365155D+01
      6  -0.112718D+01  0.847825D+00 -0.371665D-01  0.153307D+00 -0.168414D+01
               131           132           133           134           135 
      1   0.222410D+00 -0.383024D+00 -0.113412D+02 -0.917571D+00  0.102788D+01
      2  -0.185743D+00 -0.209500D+01  0.106015D+02 -0.106503D+01 -0.172890D+02
      3  -0.366670D-01  0.247803D+01  0.739709D+00  0.198260D+01  0.162611D+02
      4  -0.181824D+01 -0.569155D+01  0.135574D+01 -0.834128D+01 -0.636117D+01
      5  -0.517946D+01 -0.920438D+01  0.190778D+02 -0.608619D+01 -0.398844D+02
      6   0.257662D+01  0.447834D+01 -0.114410D+01  0.491851D+01  0.209563D+01
               136           137           138           139           140 
      1   0.499651D+01  0.343601D+01  0.193967D+01  0.130841D+02  0.221478D+01
      2  -0.222474D+00  0.120260D+01 -0.107355D+01 -0.374910D+01  0.121619D+02
      3  -0.477403D+01 -0.463861D+01 -0.866115D+00 -0.933504D+01 -0.143766D+02
      4   0.638535D+01  0.114629D+02 -0.329684D+00  0.165713D+02  0.404295D+02
      5   0.155488D+01 -0.488621D+00  0.276174D+01 -0.103805D+01  0.121606D+01
      6  -0.294656D+00 -0.649841D+00  0.891507D+00  0.153834D+00 -0.996097D+00
               141           142           143           144           145 
      1  -0.756794D+00  0.335957D+01 -0.561140D+00  0.954596D+00 -0.739073D+01
      2   0.738952D+00 -0.150130D+01  0.427358D+00 -0.116262D+01  0.771196D+01
      3   0.178424D-01 -0.185827D+01  0.133782D+00  0.208026D+00 -0.321230D+00
      4   0.188960D+00  0.100899D+00  0.887500D+00  0.281726D+01  0.154198D+02
      5   0.602132D+01  0.504343D+01  0.341027D+01 -0.221443D+01 -0.272327D+01
      6   0.412222D+01  0.100144D+01  0.484198D+01  0.654206D+00 -0.874617D+01
               146           147           148           149           150 
      1  -0.124271D+02  0.601432D+01 -0.718555D+01 -0.818095D+01  0.381793D+01
      2   0.148253D+02 -0.359256D+01  0.876312D+01  0.114428D+02 -0.412284D+01
      3  -0.239823D+01 -0.242176D+01 -0.157757D+01 -0.326181D+01  0.304907D+00
      4   0.753821D+01 -0.596346D+01  0.831921D+01  0.517451D+01 -0.228692D+01
      5  -0.203789D+01  0.247884D+01 -0.123961D+01 -0.933450D+00 -0.769802D-01
      6  -0.670902D+01  0.800539D+01 -0.466972D+01 -0.557337D+01  0.654664D+01
               151           152           153           154           155 
      1   0.597116D+01  0.633586D+01 -0.710508D+01 -0.905226D+00 -0.195383D+01
      2  -0.303818D+01 -0.671175D+01  0.339763D+01  0.137338D+01  0.652745D+00
      3  -0.293299D+01  0.375893D+00  0.370744D+01 -0.468153D+00  0.130109D+01
      4  -0.686720D+01 -0.147617D+01  0.244798D+01 -0.160770D+01  0.530591D+01
      5   0.335448D+01 -0.540949D+00 -0.213448D+01 -0.118328D+01  0.518870D+00
      6   0.587394D+01  0.850676D+01 -0.575773D+01  0.147501D+01  0.720181D-01
               156           157           158           159           160 
      1  -0.125144D+01 -0.980356D+00 -0.610967D+01 -0.499068D+01 -0.224690D+01
      2   0.798551D+00 -0.104284D+00  0.839057D+01  0.677166D+01  0.103164D+01
      3   0.452891D+00  0.108464D+01 -0.228090D+01 -0.178099D+01  0.121526D+01
      4   0.169720D+01  0.440678D+01 -0.334166D+01 -0.232734D+01  0.467501D+01
      5   0.381511D+01 -0.187660D+00 -0.254865D+01 -0.298289D+01  0.445059D+01
      6  -0.457975D+00 -0.320630D-02  0.775213D+01  0.118604D+02 -0.119776D+01
               161           162           163           164           165 
      1  -0.100825D+02 -0.110477D+02  0.122017D+02 -0.132015D+01  0.252173D+01
      2   0.127431D+02  0.412621D+01  0.262170D+00 -0.951801D+01 -0.285460D+00
      3  -0.266061D+01  0.692146D+01 -0.124639D+02  0.108382D+02 -0.223627D+01
      4  -0.654831D+01 -0.594423D+01 -0.257163D+02  0.232789D+02 -0.108848D+02
      5  -0.586937D+01 -0.125182D+02  0.107756D+02 -0.705690D+01  0.913628D+01
      6   0.158188D+02  0.272909D+02 -0.103379D+02  0.845555D+01 -0.930770D+01
               166           167           168           169           170 
      1  -0.130131D+01 -0.325429D+01  0.180704D+01  0.361889D+01  0.291953D+01
      2  -0.665327D+01  0.134127D+02 -0.435267D+01 -0.766570D+00 -0.648237D+01
      3   0.795458D+01 -0.101584D+02  0.254563D+01 -0.285231D+01  0.356284D+01
      4   0.175185D+02 -0.183562D+02  0.739509D+01 -0.122851D+02  0.109860D+02
      5  -0.463368D+01  0.614111D+01 -0.474310D+01  0.917703D+01 -0.708140D+01
      6   0.626218D+01 -0.927299D+01  0.895032D+01 -0.781687D+01  0.113134D+02
               171 
      1  -0.180381D+01
      2   0.106964D+01
      3   0.734170D+00
      4  -0.964864D+01
      5   0.794043D+01
      6  -0.839758D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Sun Sep 26 20:19:15 2021, MaxMem=  6442450944 cpu:           21207.1 elap:            2651.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.33001 -19.27030 -14.44135 -10.43576 -10.34198
 Alpha  occ. eigenvalues --  -10.30794 -10.28784 -10.27998  -1.22558  -1.13372
 Alpha  occ. eigenvalues --   -1.00613  -0.90260  -0.81132  -0.78431  -0.71822
 Alpha  occ. eigenvalues --   -0.66180  -0.61430  -0.58871  -0.57712  -0.56680
 Alpha  occ. eigenvalues --   -0.54662  -0.51082  -0.50941  -0.48038  -0.47533
 Alpha  occ. eigenvalues --   -0.46679  -0.43214  -0.42132  -0.41570  -0.41037
 Alpha  occ. eigenvalues --   -0.37924  -0.33714
 Alpha virt. eigenvalues --    0.03410   0.04435   0.04500   0.05109   0.06293
 Alpha virt. eigenvalues --    0.06584   0.07102   0.07168   0.07780   0.08251
 Alpha virt. eigenvalues --    0.09399   0.10104   0.11034   0.12561   0.12976
 Alpha virt. eigenvalues --    0.13361   0.14024   0.14827   0.14982   0.15401
 Alpha virt. eigenvalues --    0.15534   0.16388   0.17751   0.18108   0.18384
 Alpha virt. eigenvalues --    0.18732   0.19436   0.20224   0.20379   0.20821
 Alpha virt. eigenvalues --    0.21049   0.22277   0.22938   0.23627   0.24645
 Alpha virt. eigenvalues --    0.24945   0.25578   0.26837   0.27408   0.27900
 Alpha virt. eigenvalues --    0.28697   0.29241   0.29583   0.30137   0.31180
 Alpha virt. eigenvalues --    0.31393   0.32189   0.33344   0.33676   0.34082
 Alpha virt. eigenvalues --    0.34335   0.35881   0.36779   0.38139   0.38644
 Alpha virt. eigenvalues --    0.39907   0.40748   0.41519   0.41692   0.42579
 Alpha virt. eigenvalues --    0.42749   0.43486   0.44320   0.44993   0.45654
 Alpha virt. eigenvalues --    0.46076   0.46751   0.47403   0.47586   0.48719
 Alpha virt. eigenvalues --    0.49062   0.49782   0.51092   0.51774   0.52944
 Alpha virt. eigenvalues --    0.53711   0.54808   0.55504   0.55847   0.56103
 Alpha virt. eigenvalues --    0.57148   0.58260   0.58405   0.58737   0.59250
 Alpha virt. eigenvalues --    0.60099   0.61216   0.62055   0.62881   0.64338
 Alpha virt. eigenvalues --    0.66009   0.66490   0.67432   0.68590   0.69055
 Alpha virt. eigenvalues --    0.69826   0.70451   0.71665   0.71915   0.73352
 Alpha virt. eigenvalues --    0.74566   0.75490   0.76432   0.76760   0.77424
 Alpha virt. eigenvalues --    0.77759   0.79027   0.80114   0.80604   0.82622
 Alpha virt. eigenvalues --    0.83999   0.84463   0.85732   0.86672   0.87694
 Alpha virt. eigenvalues --    0.87953   0.89431   0.90026   0.91413   0.91469
 Alpha virt. eigenvalues --    0.92701   0.95174   0.95729   0.97492   0.99167
 Alpha virt. eigenvalues --    1.01119   1.02458   1.03834   1.05034   1.05776
 Alpha virt. eigenvalues --    1.06845   1.08200   1.09211   1.10227   1.10842
 Alpha virt. eigenvalues --    1.15418   1.17191   1.18433   1.19342   1.20343
 Alpha virt. eigenvalues --    1.21051   1.22812   1.24633   1.25377   1.26769
 Alpha virt. eigenvalues --    1.27469   1.30139   1.33188   1.34965   1.37511
 Alpha virt. eigenvalues --    1.39232   1.42190   1.45013   1.45869   1.48049
 Alpha virt. eigenvalues --    1.50739   1.53945   1.55188   1.57987   1.59269
 Alpha virt. eigenvalues --    1.62452   1.63232   1.65062   1.66385   1.66580
 Alpha virt. eigenvalues --    1.69761   1.71076   1.72770   1.74896   1.76287
 Alpha virt. eigenvalues --    1.79214   1.79837   1.81321   1.81763   1.84247
 Alpha virt. eigenvalues --    1.87259   1.88557   1.89623   1.91763   1.92904
 Alpha virt. eigenvalues --    1.93619   1.96509   1.97777   1.98755   2.00179
 Alpha virt. eigenvalues --    2.01148   2.03174   2.04331   2.06008   2.08211
 Alpha virt. eigenvalues --    2.09698   2.11183   2.12222   2.13448   2.16210
 Alpha virt. eigenvalues --    2.17223   2.18751   2.20325   2.21854   2.23924
 Alpha virt. eigenvalues --    2.26697   2.27640   2.28382   2.29898   2.31860
 Alpha virt. eigenvalues --    2.34205   2.35504   2.36455   2.39450   2.42093
 Alpha virt. eigenvalues --    2.43128   2.46285   2.50668   2.52054   2.52760
 Alpha virt. eigenvalues --    2.56047   2.57359   2.59048   2.62438   2.64092
 Alpha virt. eigenvalues --    2.66536   2.69109   2.69574   2.73236   2.73856
 Alpha virt. eigenvalues --    2.77616   2.79656   2.83390   2.84813   2.90758
 Alpha virt. eigenvalues --    2.93337   2.97414   2.98581   3.07253   3.13636
 Alpha virt. eigenvalues --    3.17640   3.21038   3.37958   3.42341   3.42522
 Alpha virt. eigenvalues --    3.46575   3.48333   3.48829   3.51281   3.54774
 Alpha virt. eigenvalues --    3.56644   3.61844   3.70259   3.83949   4.02353
 Alpha virt. eigenvalues --    4.09115
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    4.843255  -0.232081  -0.249987  -0.017380   0.010185  -0.187591
     2  C   -0.232081   8.864540  -1.325400   0.198332   0.034063  -0.044978
     3  C   -0.249987  -1.325400  10.234984  -2.249493   0.051887   0.083613
     4  C   -0.017380   0.198332  -2.249493   7.242457  -0.145239  -0.150192
     5  O    0.010185   0.034063   0.051887  -0.145239   8.296824   0.008851
     6  C   -0.187591  -0.044978   0.083613  -0.150192   0.008851   4.766863
     7  N    0.064737  -0.129988  -0.476395   0.191734  -0.003676  -0.000781
     8  O    0.005708  -0.049372   0.198231   0.093280  -0.009887   0.009238
     9  H    0.049220   0.159862  -1.222089   0.152297  -0.046277  -0.059602
    10  H    0.070922  -1.310600   0.216738   0.015496  -0.006639  -0.030120
    11  H   -0.001148  -0.015559   0.070899  -0.093256   0.312861   0.001915
    12  H    0.000123  -0.011286   0.136236  -0.059104   0.002863   0.006304
    13  H   -0.004773   0.092156  -0.141515  -0.089375  -0.005957   0.004277
    14  H    0.073602   0.079142  -0.047692  -0.004597   0.001512   0.161773
    15  H   -0.084848  -0.156074   0.109061  -0.021246  -0.000684   0.309109
    16  H   -0.059423   0.272800  -0.076624   0.014219  -0.000634   0.171487
    17  H    0.252594   0.159331   0.028376   0.041487  -0.009962  -0.080393
    18  H    0.279559   0.005860  -0.208343   0.090330   0.001697  -0.084980
    19  H    0.093150   0.047724   0.020640  -0.031143  -0.000701   0.082894
               7          8          9         10         11         12
     1  C    0.064737   0.005708   0.049220   0.070922  -0.001148   0.000123
     2  C   -0.129988  -0.049372   0.159862  -1.310600  -0.015559  -0.011286
     3  C   -0.476395   0.198231  -1.222089   0.216738   0.070899   0.136236
     4  C    0.191734   0.093280   0.152297   0.015496  -0.093256  -0.059104
     5  O   -0.003676  -0.009887  -0.046277  -0.006639   0.312861   0.002863
     6  C   -0.000781   0.009238  -0.059602  -0.030120   0.001915   0.006304
     7  N    6.827288  -0.032164   0.154010   0.017333  -0.002622   0.203270
     8  O   -0.032164   8.404886  -0.037390   0.018883  -0.034497   0.003218
     9  H    0.154010  -0.037390   2.293528   0.075143   0.006416  -0.081006
    10  H    0.017333   0.018883   0.075143   2.613730  -0.000105   0.013216
    11  H   -0.002622  -0.034497   0.006416  -0.000105   0.572305  -0.000215
    12  H    0.203270   0.003218  -0.081006   0.013216  -0.000215   0.935814
    13  H    0.379573  -0.006868   0.051980  -0.020458  -0.000606  -0.110948
    14  H    0.043986  -0.000485   0.003679  -0.116908  -0.000254   0.001667
    15  H   -0.005370   0.000460  -0.027605   0.106801   0.000104   0.000287
    16  H   -0.060210   0.001284  -0.004941  -0.055464   0.000637   0.000575
    17  H    0.006275   0.008457   0.000890  -0.074779   0.001311  -0.002550
    18  H    0.011850  -0.009007   0.028650   0.085716   0.002391   0.001487
    19  H   -0.006718   0.003530   0.004212  -0.037235   0.000494   0.000316
              13         14         15         16         17         18
     1  C   -0.004773   0.073602  -0.084848  -0.059423   0.252594   0.279559
     2  C    0.092156   0.079142  -0.156074   0.272800   0.159331   0.005860
     3  C   -0.141515  -0.047692   0.109061  -0.076624   0.028376  -0.208343
     4  C   -0.089375  -0.004597  -0.021246   0.014219   0.041487   0.090330
     5  O   -0.005957   0.001512  -0.000684  -0.000634  -0.009962   0.001697
     6  C    0.004277   0.161773   0.309109   0.171487  -0.080393  -0.084980
     7  N    0.379573   0.043986  -0.005370  -0.060210   0.006275   0.011850
     8  O   -0.006868  -0.000485   0.000460   0.001284   0.008457  -0.009007
     9  H    0.051980   0.003679  -0.027605  -0.004941   0.000890   0.028650
    10  H   -0.020458  -0.116908   0.106801  -0.055464  -0.074779   0.085716
    11  H   -0.000606  -0.000254   0.000104   0.000637   0.001311   0.002391
    12  H   -0.110948   0.001667   0.000287   0.000575  -0.002550   0.001487
    13  H    0.856389   0.000987  -0.000664  -0.005312   0.003750  -0.000667
    14  H    0.000987   1.686867  -0.316066  -0.390403   0.015689  -0.020882
    15  H   -0.000664  -0.316066   1.562342  -0.326917  -0.000659   0.005532
    16  H   -0.005312  -0.390403  -0.326917   1.684573  -0.015571   0.000613
    17  H    0.003750   0.015689  -0.000659  -0.015571   1.482324  -0.259003
    18  H   -0.000667  -0.020882   0.005532   0.000613  -0.259003   1.525811
    19  H   -0.002063  -0.002648  -0.028124   0.021460  -0.384209  -0.308048
              19
     1  C    0.093150
     2  C    0.047724
     3  C    0.020640
     4  C   -0.031143
     5  O   -0.000701
     6  C    0.082894
     7  N   -0.006718
     8  O    0.003530
     9  H    0.004212
    10  H   -0.037235
    11  H    0.000494
    12  H    0.000316
    13  H   -0.002063
    14  H   -0.002648
    15  H   -0.028124
    16  H    0.021460
    17  H   -0.384209
    18  H   -0.308048
    19  H    1.709649
 Mulliken charges:
               1
     1  C    1.094176
     2  C   -0.638472
     3  C    0.846874
     4  C    0.821392
     5  O   -0.491088
     6  C    1.032313
     7  N   -0.182133
     8  O   -0.567506
     9  H   -0.500978
    10  H   -0.581670
    11  H    0.178930
    12  H   -0.040267
    13  H    0.000090
    14  H   -0.168970
    15  H   -0.125436
    16  H   -0.172151
    17  H   -0.173358
    18  H   -0.148565
    19  H   -0.183181
 Sum of Mulliken charges =   0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.589071
     2  C   -1.220142
     3  C    0.345896
     4  C    0.821392
     5  O   -0.312158
     6  C    0.565755
     7  N   -0.222309
     8  O   -0.567506
 Electronic spatial extent (au):  <R**2>=           1058.4815
 Charge=              0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -0.3181    Y=             -0.6967    Z=             -1.0917  Tot=              1.3335
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -48.6581   YY=            -48.4733   ZZ=            -51.9657
   XY=             -0.3736   XZ=              4.2620   YZ=             -0.9421
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              1.0409   YY=              1.2257   ZZ=             -2.2667
   XY=             -0.3736   XZ=              4.2620   YZ=             -0.9421
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=            -29.2421  YYY=              3.2812  ZZZ=             -2.4847  XYY=            -17.4424
  XXY=            -13.2284  XXZ=             -7.7345  XZZ=              3.0804  YZZ=              3.4739
  YYZ=              1.4090  XYZ=              2.4258
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=           -724.7420 YYYY=           -421.5920 ZZZZ=           -170.3985 XXXY=             37.6840
 XXXZ=             33.7641 YYYX=            -10.1910 YYYZ=              3.2506 ZZZX=              3.2944
 ZZZY=              2.3444 XXYY=           -188.2896 XXZZ=           -170.5654 YYZZ=            -92.9630
 XXYZ=             -0.4122 YYXZ=              6.6313 ZZXY=             -1.8624
 N-N= 4.071134801793D+02 E-N=-1.753491767038D+03  KE= 3.998116832252D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Sun Sep 26 20:19:15 2021, MaxMem=  6442450944 cpu:               2.9 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-1.56034518D-01-2.39542537D-01-4.12141700D-01
 Polarizability= 8.26560838D+01 2.25054482D+00 7.56861279D+01
                -8.72644630D-01 1.77830684D+00 6.74213435D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 2     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 3     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 4      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 5     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 6      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.6912    0.6919        1.2570    1.2548
 2     -0.6912   -0.6919       -0.9101   -0.9108       -3.5965   -3.5971
 3     -1.2570   -1.2548        8.0286    8.0269        0.9100    0.9108
 4      0.9101    0.9108       -0.0000    0.0000       -1.2531   -1.2548
 5     -4.4320   -4.4299        1.2531    1.2548        0.6887    0.6919
 6     -0.9100   -0.9108       -0.6887   -0.6919        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -2.0757   -2.0757        3.7644    3.7644
 2      2.7325    2.7325        0.0000    0.0000        3.7644    3.7644
 3      2.7325    2.7325       -2.0757   -2.0757       -0.0000    0.0000
 4     -2.0757   -2.0757       -2.7325   -2.7325      -10.7912  -10.7912
 5     -3.7644   -3.7644       24.0808   24.0808        2.7325    2.7325
 6    -13.2896  -13.2896        3.7644    3.7644        2.0757    2.0757
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0246    0.0000       -3.1985   -2.7676       -5.4467   -5.0192
 2      2.8554    2.7676        3.7981    3.6433       15.0767   14.3883
 3      4.8573    5.0192      -32.4671  -32.1078       -3.7604   -3.6433
 4     -3.5543   -3.6433       -0.1992    0.0000        4.7612    5.0192
 5     17.8065   17.7195       -4.8953   -5.0192       -2.4978   -2.7676
 6      3.6769    3.6433        2.5625    2.7676        0.0336    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0298    0.0000        7.9041    7.9962       -2.7704   -2.7269
 2     -7.7032   -7.9962      -13.0174  -12.7838        7.0264    6.9085
 3      3.4748    2.7269       14.5398   14.2384       11.6144   12.7838
 4     12.6638   12.7838        0.1326    0.0000        2.7936    2.7269
 5    -21.4554  -21.1469       -3.0138   -2.7269        8.7866    7.9962
 6    -12.8142  -12.7838       -7.8609   -7.9962       -0.1007    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      9.2097    9.2032       14.7952   14.1538        8.8888    8.9699
 2     27.4779   27.6065       24.2696   23.7577        8.9222    8.9699
 3     27.6382   27.6065       14.8910   14.1538       10.6802   10.5752
 4     -9.7476   -9.6039      -18.6974  -18.4032       21.1518   21.2160
 5      2.3757    1.6053       26.3262   25.9480       17.7532   18.4032
 6    -47.1165  -47.1639       -2.0849   -1.6053       11.2868    9.6039
 Full mass-weighted force constant matrix:
 Low frequencies ---   -4.3794    0.0006    0.0008    0.0011    2.6017    8.7131
 Low frequencies ---   54.4810   70.6690  171.4385
 Diagonal vibrational polarizability:
       17.2776292      27.3926327      20.6055847
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --     54.4795                70.6665               171.4385
 Red. masses --      6.5147                 3.0470                 3.8911
 Frc consts  --      0.0114                 0.0090                 0.0674
 IR Inten    --      1.6994                 0.3316                 0.0549
 RamAct Fr= 1--      1.1611                 0.2058                 0.4013
  Dep-P Fr= 1--      0.7452                 0.7432                 0.6055
  Dep-U Fr= 1--      0.8540                 0.8527                 0.7543
 Alpha2 Fr= 1--      0.0001                 0.0000                 0.0011
 Beta2  Fr= 1--      0.1653                 0.0292                 0.0505
 AlphaG Fr= 1--      0.0001                -0.0002                -0.0018
 Gamma2 Fr= 1--      0.1873                 0.0286                 0.0600
 Delta2 Fr= 1--      0.2195                 0.0880                 0.0546
 Raman1 Fr= 1--       4.644                  0.823                  1.605
 ROA1   Fr= 1--      24.999                  5.566                  7.509
 CID1   Fr= 1--       5.383                  6.762                  4.678
 Raman2 Fr= 1--       1.983                  0.351                  0.605
 ROA2   Fr= 1--       2.738                 -0.017                  1.003
 CID2   Fr= 1--       1.381                 -0.049                  1.656
 Raman3 Fr= 1--       3.966                  0.702                  1.211
 ROA3   Fr= 1--      24.999                  5.566                  7.509
 CID3   Fr= 1--       6.303                  7.930                  6.201
 RC180  Fr= 1--       0.708                  0.705                  0.509
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.05   0.01   0.06    -0.07   0.05   0.23     0.26  -0.07   0.07
     2   6    -0.00   0.02   0.05     0.03   0.05   0.01     0.09  -0.05   0.02
     3   6     0.01  -0.09  -0.06     0.01   0.04   0.03     0.01  -0.13   0.07
     4   6     0.01  -0.04   0.01     0.02  -0.02  -0.03    -0.07   0.00   0.01
     5   8    -0.24   0.28  -0.12     0.04   0.07  -0.12    -0.13   0.10  -0.05
     6   6     0.02   0.06   0.15    -0.00  -0.08  -0.20     0.01   0.08  -0.11
     7   7    -0.04  -0.04  -0.24    -0.03   0.03   0.10     0.01  -0.12   0.07
     8   8     0.21  -0.24   0.15     0.01  -0.14  -0.01    -0.16   0.13  -0.06
     9   1     0.02  -0.20  -0.04     0.03   0.10   0.02    -0.00  -0.12   0.07
    10   1    -0.11   0.04   0.04     0.16   0.20  -0.02     0.15  -0.04   0.03
    11   1    -0.24   0.32  -0.08     0.04   0.02  -0.16    -0.23   0.28  -0.14
    12   1    -0.07  -0.14  -0.29    -0.02   0.05   0.11     0.01  -0.12   0.07
    13   1     0.01   0.07  -0.25    -0.05  -0.02   0.10    -0.00  -0.13   0.07
    14   1    -0.01   0.09   0.22     0.05   0.01  -0.20     0.11   0.12  -0.23
    15   1     0.11   0.07   0.17    -0.11  -0.28  -0.16    -0.10   0.14  -0.14
    16   1    -0.02   0.07   0.16     0.03  -0.08  -0.41    -0.07   0.09  -0.08
    17   1     0.00   0.00  -0.05    -0.02   0.17   0.41     0.24  -0.14  -0.02
    18   1     0.20  -0.01   0.07    -0.22  -0.10   0.27     0.42  -0.11   0.09
    19   1    -0.00   0.04   0.18    -0.03   0.07   0.19     0.26   0.04   0.19
                      4                      5                      6
                      A                      A                      A
 Frequencies --    219.4436               235.8345               252.0576
 Red. masses --      1.0871                 1.2515                 1.2267
 Frc consts  --      0.0308                 0.0410                 0.0459
 IR Inten    --      0.5629                 1.6516                31.6835
 RamAct Fr= 1--      0.1432                 0.0503                 0.3660
  Dep-P Fr= 1--      0.7210                 0.6803                 0.6435
  Dep-U Fr= 1--      0.8379                 0.8098                 0.7831
 Alpha2 Fr= 1--      0.0001                 0.0001                 0.0007
 Beta2  Fr= 1--      0.0200                 0.0068                 0.0478
 AlphaG Fr= 1--     -0.0003                -0.0010                 0.0020
 Gamma2 Fr= 1--      0.0082                 0.0304                -0.0602
 Delta2 Fr= 1--     -0.0102                 0.0160                -0.0433
 Raman1 Fr= 1--       0.573                  0.201                  1.464
 ROA1   Fr= 1--       0.462                  3.428                 -7.162
 CID1   Fr= 1--       0.806                 17.028                 -4.892
 Raman2 Fr= 1--       0.240                  0.082                  0.573
 ROA2   Fr= 1--       0.278                  0.601                 -1.098
 CID2   Fr= 1--       1.159                  7.375                 -1.916
 Raman3 Fr= 1--       0.480                  0.163                  1.146
 ROA3   Fr= 1--       0.462                  3.428                 -7.162
 CID3   Fr= 1--       0.962                 21.028                 -6.247
 RC180  Fr= 1--       0.676                  0.620                  0.566
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.01   0.03     0.01  -0.00   0.03    -0.00   0.01   0.00
     2   6    -0.00   0.01   0.01    -0.03   0.01  -0.05    -0.01   0.01  -0.01
     3   6    -0.00   0.01   0.01    -0.02   0.03  -0.06    -0.02  -0.00  -0.00
     4   6    -0.00  -0.00   0.01     0.00   0.01  -0.03    -0.02  -0.00   0.02
     5   8     0.03  -0.00  -0.01    -0.03  -0.03   0.01     0.01  -0.00  -0.01
     6   6    -0.01  -0.00  -0.02    -0.01  -0.01  -0.00    -0.00   0.02   0.01
     7   7     0.02   0.01  -0.03     0.01   0.00   0.06     0.08  -0.01  -0.06
     8   8    -0.02  -0.03   0.01     0.06   0.01  -0.01    -0.06  -0.03   0.01
     9   1    -0.01  -0.02   0.02    -0.03   0.09  -0.07    -0.05  -0.04  -0.00
    10   1     0.02   0.01   0.02    -0.08   0.04  -0.06    -0.02   0.01  -0.00
    11   1     0.03  -0.03  -0.02     0.00  -0.04   0.07     0.01  -0.03  -0.03
    12   1    -0.01  -0.00  -0.02    -0.08   0.06   0.20    -0.40  -0.03   0.41
    13   1     0.07   0.05  -0.03     0.13  -0.11   0.12     0.76  -0.03   0.15
    14   1     0.01  -0.42  -0.38    -0.04   0.07   0.10    -0.02   0.06   0.05
    15   1    -0.26   0.46  -0.19     0.07  -0.12   0.04     0.03  -0.02   0.03
    16   1     0.20  -0.04   0.45    -0.04  -0.01  -0.10    -0.02   0.02  -0.04
    17   1    -0.10   0.04  -0.12    -0.21   0.03  -0.39     0.05   0.01   0.09
    18   1     0.15  -0.02   0.04     0.54  -0.11   0.07    -0.10   0.02   0.00
    19   1    -0.11   0.01   0.18    -0.23   0.07   0.50     0.05   0.02  -0.08
                      7                      8                      9
                      A                      A                      A
 Frequencies --    274.4847               302.1049               357.1657
 Red. masses --      2.1703                 2.6574                 2.8159
 Frc consts  --      0.0963                 0.1429                 0.2116
 IR Inten    --      4.3383                 6.4600                 7.8051
 RamAct Fr= 1--      0.3134                 0.5850                 1.2729
  Dep-P Fr= 1--      0.3288                 0.4334                 0.1159
  Dep-U Fr= 1--      0.4949                 0.6047                 0.2078
 Alpha2 Fr= 1--      0.0029                 0.0038                 0.0214
 Beta2  Fr= 1--      0.0259                 0.0590                 0.0441
 AlphaG Fr= 1--      0.0020                -0.0083                 0.0016
 Gamma2 Fr= 1--     -0.0259                 0.2766                -0.2401
 Delta2 Fr= 1--     -0.0507                 0.0653                -0.0253
 Raman1 Fr= 1--       1.254                  2.340                  5.092
 ROA1   Fr= 1--      -4.107                 28.645                -23.859
 CID1   Fr= 1--      -3.276                 12.241                 -4.686
 Raman2 Fr= 1--       0.310                  0.708                  0.529
 ROA2   Fr= 1--      -0.215                  6.116                 -5.560
 CID2   Fr= 1--      -0.694                  8.644                -10.512
 Raman3 Fr= 1--       0.621                  1.415                  1.058
 ROA3   Fr= 1--      -4.107                 28.645                -23.859
 CID3   Fr= 1--      -6.619                 20.243                -22.556
 RC180  Fr= 1--      -0.010                  0.209                 -0.584
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.00   0.07    -0.01  -0.07   0.05    -0.11  -0.07  -0.01
     2   6    -0.00   0.01  -0.05    -0.10  -0.05  -0.00    -0.00  -0.07   0.09
     3   6     0.01  -0.02  -0.10    -0.03   0.01  -0.03     0.05  -0.08   0.06
     4   6     0.02  -0.02  -0.10    -0.02   0.03  -0.03     0.10   0.00   0.02
     5   8    -0.11  -0.04   0.01     0.02  -0.02  -0.01     0.13   0.06  -0.03
     6   6     0.02   0.04   0.04    -0.19   0.15  -0.02    -0.12   0.09  -0.04
     7   7    -0.05  -0.05   0.10     0.23  -0.02   0.03    -0.13  -0.06  -0.03
     8   8     0.14   0.07  -0.06     0.04  -0.05   0.02     0.11   0.10  -0.00
     9   1     0.06   0.08  -0.11    -0.01   0.02  -0.03     0.11  -0.13   0.07
    10   1    -0.06   0.06  -0.06    -0.14  -0.04  -0.01     0.02  -0.12   0.10
    11   1    -0.09   0.04   0.12     0.08  -0.14   0.05     0.06   0.12  -0.16
    12   1    -0.19   0.00   0.29     0.57   0.17  -0.16    -0.44  -0.24   0.14
    13   1     0.04  -0.26   0.17    -0.00   0.03  -0.05     0.06  -0.10   0.04
    14   1    -0.01  -0.17  -0.08    -0.07   0.29  -0.06     0.06   0.29  -0.14
    15   1    -0.00   0.32  -0.04    -0.18   0.20  -0.04    -0.21   0.09  -0.06
    16   1     0.09   0.02   0.33    -0.40   0.17  -0.01    -0.35   0.12  -0.12
    17   1     0.14   0.04   0.41     0.06  -0.10   0.17    -0.20   0.00  -0.14
    18   1    -0.37  -0.08   0.09    -0.09  -0.12   0.07    -0.03  -0.00  -0.03
    19   1     0.15   0.03  -0.17     0.08   0.02  -0.00    -0.22  -0.19   0.06
                     10                     11                     12
                      A                      A                      A
 Frequencies --    378.0153               429.9850               522.2306
 Red. masses --      2.6320                 2.6335                 3.5705
 Frc consts  --      0.2216                 0.2869                 0.5737
 IR Inten    --      4.3133                 2.3900                15.7536
 RamAct Fr= 1--      1.0438                 0.7125                 3.7487
  Dep-P Fr= 1--      0.7319                 0.0536                 0.1358
  Dep-U Fr= 1--      0.8452                 0.1017                 0.2392
 Alpha2 Fr= 1--      0.0003                 0.0140                 0.0601
 Beta2  Fr= 1--      0.1470                 0.0121                 0.1494
 AlphaG Fr= 1--      0.0009                -0.0023                -0.0004
 Gamma2 Fr= 1--      0.0551                -0.0131                 0.0451
 Delta2 Fr= 1--      0.1494                 0.0282                 0.1523
 Raman1 Fr= 1--       4.175                  2.850                 14.995
 ROA1   Fr= 1--      10.068                 -0.360                  9.202
 CID1   Fr= 1--       2.411                 -0.126                  0.614
 Raman2 Fr= 1--       1.764                  0.145                  1.793
 ROA2   Fr= 1--       0.127                 -0.540                 -0.137
 CID2   Fr= 1--       0.072                 -3.729                 -0.076
 Raman3 Fr= 1--       3.529                  0.290                  3.586
 ROA3   Fr= 1--      10.068                 -0.360                  9.202
 CID3   Fr= 1--       2.853                 -1.241                  2.566
 RC180  Fr= 1--       0.690                 -0.797                 -0.522
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.18  -0.10   0.02     0.04   0.12  -0.06    -0.01  -0.20   0.03
     2   6    -0.12  -0.04  -0.00    -0.04   0.08   0.22     0.09  -0.13   0.06
     3   6    -0.07   0.07  -0.03     0.04  -0.00   0.06     0.08   0.13   0.09
     4   6     0.00   0.08  -0.01     0.01  -0.04  -0.08     0.01   0.02  -0.09
     5   8     0.09   0.05  -0.02    -0.10  -0.07  -0.00    -0.13  -0.06   0.04
     6   6    -0.11  -0.14   0.02    -0.10  -0.08  -0.03     0.04   0.04  -0.02
     7   7    -0.09   0.09  -0.03     0.05   0.00   0.01    -0.03   0.25  -0.05
     8   8     0.05   0.03   0.03     0.08   0.00  -0.06    -0.01  -0.07  -0.08
     9   1    -0.06   0.08  -0.03     0.25  -0.07   0.09     0.20   0.18   0.09
    10   1    -0.16  -0.05  -0.00    -0.02   0.07   0.22     0.17  -0.24   0.09
    11   1     0.15  -0.12  -0.03    -0.09   0.03   0.12    -0.03   0.00   0.34
    12   1    -0.22   0.03   0.06     0.02  -0.00   0.04    -0.25   0.03  -0.01
    13   1    -0.00   0.06   0.01     0.13   0.03   0.02     0.11   0.36  -0.03
    14   1    -0.16  -0.25   0.00    -0.01  -0.11  -0.18     0.19   0.21  -0.09
    15   1    -0.16  -0.14   0.02    -0.42  -0.25  -0.02     0.02   0.12  -0.04
    16   1     0.03  -0.15   0.04     0.05  -0.08  -0.23    -0.19   0.06  -0.01
    17   1     0.36  -0.38   0.16     0.05  -0.09  -0.22    -0.04  -0.11   0.04
    18   1     0.16  -0.12   0.03     0.12   0.45  -0.16    -0.02  -0.26   0.04
    19   1     0.42   0.19  -0.09     0.07   0.04  -0.19    -0.05  -0.23   0.07
                     13                     14                     15
                      A                      A                      A
 Frequencies --    622.2897               663.4607               762.4376
 Red. masses --      1.2548                 3.5789                 3.4654
 Frc consts  --      0.2863                 0.9282                 1.1869
 IR Inten    --     82.6469                19.5534                36.7627
 RamAct Fr= 1--      0.5102                 6.1636                 4.3927
  Dep-P Fr= 1--      0.4386                 0.1113                 0.1619
  Dep-U Fr= 1--      0.6098                 0.2003                 0.2787
 Alpha2 Fr= 1--      0.0033                 0.1050                 0.0659
 Beta2  Fr= 1--      0.0518                 0.2058                 0.2041
 AlphaG Fr= 1--     -0.0195                 0.0072                 0.0487
 Gamma2 Fr= 1--     -0.2007                -0.9622                -0.1990
 Delta2 Fr= 1--     -0.1250                -0.3744                 0.4866
 Raman1 Fr= 1--       2.041                 24.655                 17.571
 ROA1   Fr= 1--     -23.270               -104.350                 -3.532
 CID1   Fr= 1--     -11.403                 -4.233                 -0.201
 Raman2 Fr= 1--       0.622                  2.470                  2.449
 ROA2   Fr= 1--      -3.818                -20.097                 -8.668
 CID2   Fr= 1--      -6.137                 -8.138                 -3.540
 Raman3 Fr= 1--       1.244                  4.939                  4.897
 ROA3   Fr= 1--     -23.270               -104.350                 -3.532
 CID3   Fr= 1--     -18.701                -21.127                 -0.721
 RC180  Fr= 1--       0.220                 -0.599                 -0.443
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00    -0.00   0.03  -0.00     0.01  -0.07   0.03
     2   6    -0.03   0.01  -0.04    -0.02   0.01  -0.00     0.05  -0.02   0.14
     3   6     0.02   0.02  -0.01     0.13  -0.02  -0.13    -0.05   0.01  -0.14
     4   6     0.06  -0.06   0.03     0.15   0.09  -0.03    -0.19   0.27  -0.12
     5   8     0.03  -0.04   0.04     0.03   0.14   0.20     0.07  -0.07   0.04
     6   6    -0.04  -0.01   0.01    -0.07  -0.01   0.01     0.11   0.03  -0.01
     7   7     0.01   0.04   0.00    -0.01  -0.06   0.01    -0.02  -0.04  -0.01
     8   8    -0.01  -0.02  -0.02    -0.14  -0.14  -0.12     0.01  -0.07   0.09
     9   1    -0.02   0.06  -0.02     0.13  -0.05  -0.13     0.07  -0.05  -0.12
    10   1    -0.05   0.00  -0.04    -0.13   0.07  -0.03    -0.04   0.08   0.10
    11   1    -0.44   0.80  -0.32     0.22   0.15   0.66    -0.26   0.39  -0.33
    12   1     0.02   0.04  -0.01    -0.14  -0.12   0.08    -0.03   0.09   0.11
    13   1     0.02   0.06  -0.00    -0.22  -0.34   0.01    -0.10  -0.30   0.02
    14   1    -0.06  -0.02   0.03    -0.03  -0.01  -0.04     0.25   0.07  -0.17
    15   1    -0.02  -0.00   0.01    -0.14  -0.03   0.01    -0.09  -0.01  -0.03
    16   1    -0.03  -0.01   0.02    -0.07  -0.01  -0.01     0.09   0.04  -0.10
    17   1     0.03  -0.03   0.03     0.02  -0.01  -0.01    -0.05  -0.07  -0.11
    18   1     0.01  -0.06   0.02     0.01   0.06  -0.01    -0.03   0.20  -0.06
    19   1     0.04   0.08   0.02     0.03   0.05  -0.02    -0.04  -0.30  -0.12
                     16                     17                     18
                      A                      A                      A
 Frequencies --    832.6382               856.8530               912.1157
 Red. masses --      2.6529                 1.9549                 2.0885
 Frc consts  --      1.0837                 0.8456                 1.0237
 IR Inten    --     66.2397                56.0529                34.1272
 RamAct Fr= 1--      6.5428                 4.5697                 1.7386
  Dep-P Fr= 1--      0.0759                 0.1725                 0.6492
  Dep-U Fr= 1--      0.1412                 0.2943                 0.7873
 Alpha2 Fr= 1--      0.1214                 0.0667                 0.0031
 Beta2  Fr= 1--      0.1539                 0.2241                 0.2281
 AlphaG Fr= 1--      0.0158                -0.0315                 0.0133
 Gamma2 Fr= 1--     -0.5176                 0.6564                 0.1700
 Delta2 Fr= 1--     -0.0715                 0.3031                -0.1083
 Raman1 Fr= 1--      26.171                 18.279                  6.954
 ROA1   Fr= 1--     -51.978                 72.717                 12.854
 CID1   Fr= 1--      -1.986                  3.978                  1.848
 Raman2 Fr= 1--       1.847                  2.689                  2.738
 ROA2   Fr= 1--     -11.851                 13.330                  4.947
 CID2   Fr= 1--      -6.415                  4.957                  1.807
 Raman3 Fr= 1--       3.695                  5.379                  5.475
 ROA3   Fr= 1--     -51.978                 72.717                 12.854
 CID3   Fr= 1--     -14.069                 13.519                  2.348
 RC180  Fr= 1--      -0.718                 -0.411                  0.575
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.05  -0.02    -0.02  -0.11   0.03    -0.07  -0.11  -0.00
     2   6    -0.02  -0.01  -0.05    -0.02   0.05   0.08    -0.14   0.10   0.02
     3   6    -0.11  -0.00   0.20    -0.11   0.05  -0.07    -0.04  -0.05   0.09
     4   6    -0.01   0.14  -0.13     0.08  -0.10   0.04     0.01  -0.00  -0.02
     5   8     0.03   0.00   0.06     0.01   0.05   0.02     0.01   0.01   0.01
     6   6    -0.00   0.00  -0.03     0.08   0.04   0.00     0.10   0.11  -0.06
     7   7    -0.08  -0.14  -0.00    -0.08  -0.05   0.00     0.09   0.03   0.00
     8   8     0.07  -0.05  -0.08    -0.01   0.02  -0.05     0.02  -0.01  -0.03
     9   1    -0.02   0.02   0.20    -0.18   0.08  -0.08    -0.02  -0.13   0.10
    10   1     0.20  -0.13   0.00    -0.16   0.14   0.04    -0.10   0.09   0.02
    11   1     0.01   0.26   0.22     0.06   0.01   0.10     0.02   0.05   0.08
    12   1     0.27   0.02  -0.18     0.42   0.45  -0.05    -0.28  -0.32   0.05
    13   1     0.43   0.41   0.01     0.38   0.16   0.07    -0.32  -0.12  -0.06
    14   1    -0.18  -0.07   0.16     0.19   0.03  -0.14    -0.13  -0.14   0.06
    15   1     0.25   0.03  -0.00    -0.13  -0.04  -0.01     0.15  -0.09   0.00
    16   1     0.06  -0.01   0.09     0.15   0.04  -0.13     0.51   0.07  -0.14
    17   1     0.02   0.10   0.06    -0.02  -0.25  -0.09     0.02  -0.40  -0.03
    18   1     0.01  -0.11   0.03     0.01   0.11  -0.04     0.07  -0.08  -0.01
    19   1     0.01   0.15   0.07    -0.01  -0.21  -0.09     0.07   0.10  -0.02
                     19                     20                     21
                      A                      A                      A
 Frequencies --    938.6335               959.8880               988.0867
 Red. masses --      1.2349                 1.6735                 1.9873
 Frc consts  --      0.6410                 0.9085                 1.1432
 IR Inten    --      1.7068                15.9182                23.3525
 RamAct Fr= 1--      0.5986                 4.8978                 2.9989
  Dep-P Fr= 1--      0.3267                 0.6749                 0.4479
  Dep-U Fr= 1--      0.4925                 0.8059                 0.6187
 Alpha2 Fr= 1--      0.0057                 0.0065                 0.0185
 Beta2  Fr= 1--      0.0491                 0.6578                 0.3093
 AlphaG Fr= 1--     -0.0185                -0.0192                -0.0328
 Gamma2 Fr= 1--      0.3004                -0.0135                 0.0740
 Delta2 Fr= 1--      0.3268                 0.1648                -0.1285
 Raman1 Fr= 1--       2.394                 19.591                 11.996
 ROA1   Fr= 1--      39.298                  3.977                  2.995
 CID1   Fr= 1--      16.413                  0.203                  0.250
 Raman2 Fr= 1--       0.590                  7.894                  3.711
 ROA2   Fr= 1--       4.596                 -1.642                  2.805
 CID2   Fr= 1--       7.795                 -0.208                  0.756
 Raman3 Fr= 1--       1.179                 15.788                  7.422
 ROA3   Fr= 1--      39.298                  3.977                  2.995
 CID3   Fr= 1--      33.328                  0.252                  0.404
 RC180  Fr= 1--      -0.015                  0.612                  0.237
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.02   0.07    -0.10   0.03  -0.01     0.01  -0.11   0.03
     2   6     0.00  -0.03   0.00    -0.08  -0.01   0.00     0.02   0.11  -0.03
     3   6    -0.06  -0.02   0.00     0.13   0.05  -0.00     0.17   0.05  -0.02
     4   6     0.02  -0.01  -0.00    -0.02   0.02   0.02    -0.02   0.03   0.02
     5   8     0.01   0.01   0.01    -0.02  -0.02  -0.02    -0.02  -0.03  -0.02
     6   6    -0.00  -0.06  -0.05     0.09  -0.03  -0.02    -0.11   0.04  -0.04
     7   7     0.02   0.04  -0.00    -0.04  -0.06  -0.00    -0.05  -0.06   0.00
     8   8     0.01  -0.00  -0.02    -0.02   0.01   0.04    -0.03   0.01   0.05
     9   1    -0.12  -0.04  -0.00     0.26   0.07   0.00     0.33   0.09  -0.01
    10   1     0.25   0.30  -0.06    -0.05  -0.04   0.01     0.21   0.29  -0.06
    11   1     0.01   0.03   0.04    -0.02  -0.07  -0.08    -0.03  -0.08  -0.08
    12   1    -0.06  -0.01   0.04     0.09  -0.00  -0.07     0.13   0.03  -0.08
    13   1    -0.07  -0.03  -0.01     0.14   0.06   0.02     0.19   0.08   0.03
    14   1    -0.05   0.11   0.15     0.26   0.18  -0.10    -0.48  -0.20   0.27
    15   1     0.38   0.23  -0.08     0.07   0.16  -0.08     0.21  -0.05   0.04
    16   1    -0.31  -0.04   0.26    -0.22   0.00   0.04     0.23   0.00   0.09
    17   1    -0.02  -0.28  -0.18     0.11  -0.47   0.03    -0.06  -0.11  -0.11
    18   1     0.09   0.47  -0.07     0.20  -0.03   0.02    -0.03   0.09  -0.04
    19   1     0.06  -0.10  -0.18     0.20   0.55   0.01    -0.03  -0.30  -0.09
                     22                     23                     24
                      A                      A                      A
 Frequencies --   1072.3482              1114.8054              1135.3744
 Red. masses --      1.2662                 2.5390                 2.4487
 Frc consts  --      0.8579                 1.8591                 1.8598
 IR Inten    --      7.1042                16.6552               220.9526
 RamAct Fr= 1--      2.9273                 3.2293                 1.5522
  Dep-P Fr= 1--      0.1936                 0.3769                 0.7413
  Dep-U Fr= 1--      0.3243                 0.5475                 0.8514
 Alpha2 Fr= 1--      0.0404                 0.0259                 0.0002
 Beta2  Fr= 1--      0.1582                 0.2947                 0.2203
 AlphaG Fr= 1--      0.0211                 0.0130                -0.0025
 Gamma2 Fr= 1--     -0.3727                -1.0761                 0.4858
 Delta2 Fr= 1--     -0.0479                -1.1734                -0.0895
 Raman1 Fr= 1--      11.709                 12.917                  6.209
 ROA1   Fr= 1--     -37.310               -140.856                 43.775
 CID1   Fr= 1--      -3.186                -10.905                  7.051
 Raman2 Fr= 1--       1.899                  3.536                  2.643
 ROA2   Fr= 1--      -8.560                -16.440                 12.376
 CID2   Fr= 1--      -4.508                 -4.649                  4.682
 Raman3 Fr= 1--       3.798                  7.072                  5.286
 ROA3   Fr= 1--     -37.310               -140.856                 43.775
 CID3   Fr= 1--      -9.824                -19.918                  8.281
 RC180  Fr= 1--      -0.351                  0.095                  0.703
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.01  -0.05    -0.03  -0.06  -0.06     0.03  -0.00  -0.01
     2   6     0.01   0.01   0.07     0.11   0.12   0.05    -0.03   0.01   0.03
     3   6    -0.03  -0.05  -0.04    -0.09   0.23   0.03    -0.03   0.10  -0.01
     4   6    -0.01  -0.03  -0.00     0.05   0.00   0.02    -0.14  -0.17  -0.07
     5   8     0.01   0.02   0.02    -0.02  -0.03  -0.05     0.04   0.11   0.16
     6   6    -0.02   0.01  -0.05    -0.04  -0.06   0.04     0.01  -0.02  -0.03
     7   7    -0.02   0.06  -0.01     0.05  -0.13  -0.06     0.03  -0.05  -0.01
     8   8    -0.00   0.00  -0.00     0.00   0.01  -0.00     0.03  -0.00  -0.05
     9   1     0.24  -0.43   0.05    -0.22   0.06   0.05     0.43   0.37  -0.01
    10   1     0.29  -0.20   0.14     0.45   0.04   0.10     0.07  -0.07   0.06
    11   1     0.00  -0.03  -0.05     0.00   0.12   0.14    -0.09  -0.31  -0.54
    12   1     0.16   0.48   0.15    -0.13  -0.13   0.11    -0.11  -0.23  -0.04
    13   1     0.01  -0.26   0.06    -0.27  -0.48  -0.07    -0.04   0.04  -0.05
    14   1    -0.17  -0.04   0.14     0.05   0.10   0.02     0.01   0.05   0.03
    15   1     0.22   0.02  -0.02    -0.07   0.05   0.00     0.13   0.07  -0.03
    16   1     0.05  -0.01   0.09    -0.21  -0.04   0.08    -0.05  -0.01   0.06
    17   1     0.05  -0.00   0.10     0.06  -0.11   0.09    -0.00   0.12   0.03
    18   1     0.04  -0.23   0.03     0.05  -0.31   0.02    -0.05  -0.05   0.00
    19   1     0.01   0.21   0.10     0.01   0.12   0.07    -0.06  -0.11   0.04
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1152.5721              1196.8882              1248.7996
 Red. masses --      2.5599                 1.7459                 1.7352
 Frc consts  --      2.0036                 1.4736                 1.5944
 IR Inten    --     25.7572                 7.1083                 6.2207
 RamAct Fr= 1--      5.6354                 1.4298                 2.5636
  Dep-P Fr= 1--      0.6358                 0.6070                 0.1452
  Dep-U Fr= 1--      0.7773                 0.7555                 0.2535
 Alpha2 Fr= 1--      0.0117                 0.0038                 0.0401
 Beta2  Fr= 1--      0.7301                 0.1800                 0.1083
 AlphaG Fr= 1--     -0.0214                -0.0048                 0.0243
 Gamma2 Fr= 1--      1.7504                 0.1662                 0.3546
 Delta2 Fr= 1--      1.0394                 0.1116                 0.1623
 Raman1 Fr= 1--      22.541                  5.719                 10.255
 ROA1   Fr= 1--     201.302                 19.524                 39.235
 CID1   Fr= 1--       8.930                  3.414                  3.826
 Raman2 Fr= 1--       8.761                  2.160                  1.300
 ROA2   Fr= 1--      33.696                  3.096                  7.212
 CID2   Fr= 1--       3.846                  1.433                  5.548
 Raman3 Fr= 1--      17.522                  4.321                  2.600
 ROA3   Fr= 1--     201.302                 19.524                 39.235
 CID3   Fr= 1--      11.489                  4.519                 15.092
 RC180  Fr= 1--       0.555                  0.511                 -0.493
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06  -0.08  -0.04    -0.09   0.04   0.06    -0.04   0.00  -0.08
     2   6     0.12   0.18  -0.10     0.13  -0.12  -0.04     0.08   0.00   0.15
     3   6     0.01  -0.16   0.05    -0.02   0.02  -0.02    -0.03  -0.09  -0.11
     4   6    -0.09   0.00  -0.06    -0.02  -0.02  -0.01     0.01   0.01   0.01
     5   8     0.02   0.03   0.06     0.00   0.02   0.03     0.00  -0.00  -0.01
     6   6    -0.04  -0.06   0.11    -0.05   0.10   0.05    -0.03  -0.00  -0.06
     7   7    -0.01   0.06   0.03     0.00  -0.00  -0.01     0.01   0.01   0.05
     8   8     0.03  -0.01  -0.03     0.01  -0.00  -0.02    -0.01   0.00   0.01
     9   1    -0.09  -0.17   0.03    -0.17   0.17  -0.07    -0.23   0.43  -0.22
    10   1     0.14   0.49  -0.18     0.30  -0.25   0.00    -0.01   0.17   0.10
    11   1    -0.01  -0.12  -0.17    -0.03  -0.09  -0.14     0.02   0.04   0.07
    12   1     0.05   0.09  -0.00    -0.01   0.00   0.00    -0.09  -0.32  -0.13
    13   1     0.08   0.16   0.03    -0.02  -0.03  -0.01     0.08   0.45  -0.02
    14   1     0.21   0.08  -0.13    -0.18  -0.23  -0.02    -0.15  -0.00   0.12
    15   1    -0.40   0.01   0.04    -0.21  -0.27   0.13     0.18   0.01  -0.02
    16   1    -0.29  -0.03  -0.06     0.33   0.06  -0.14     0.03  -0.01   0.14
    17   1     0.03  -0.26   0.01     0.02  -0.34  -0.04     0.09  -0.02   0.17
    18   1     0.10  -0.19  -0.01     0.22   0.26  -0.01     0.06  -0.27   0.01
    19   1     0.06   0.13  -0.03     0.15   0.26  -0.12    -0.01   0.23   0.11
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1284.0916              1346.2876              1363.1396
 Red. masses --      1.3605                 1.5217                 1.4860
 Frc consts  --      1.3217                 1.6250                 1.6269
 IR Inten    --      2.1901                12.2709                10.3289
 RamAct Fr= 1--      4.5856                 3.0069                 2.3425
  Dep-P Fr= 1--      0.6611                 0.7131                 0.7362
  Dep-U Fr= 1--      0.7960                 0.8325                 0.8480
 Alpha2 Fr= 1--      0.0073                 0.0019                 0.0006
 Beta2  Fr= 1--      0.6083                 0.4172                 0.3311
 AlphaG Fr= 1--      0.0083                 0.0122                -0.0026
 Gamma2 Fr= 1--     -0.8289                -0.3234                -0.6186
 Delta2 Fr= 1--     -0.7904                -0.2675                -0.3574
 Raman1 Fr= 1--      18.342                 12.028                  9.370
 ROA1   Fr= 1--    -104.864                -39.608                -70.818
 CID1   Fr= 1--      -5.717                 -3.293                 -7.558
 Raman2 Fr= 1--       7.300                  5.007                  3.973
 ROA2   Fr= 1--     -13.569                 -5.623                -11.987
 CID2   Fr= 1--      -1.859                 -1.123                 -3.017
 Raman3 Fr= 1--      14.600                 10.013                  7.946
 ROA3   Fr= 1--    -104.864                -39.608                -70.818
 CID3   Fr= 1--      -7.182                 -3.956                 -8.912
 RC180  Fr= 1--       0.592                  0.665                  0.696
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.00   0.01     0.03   0.00  -0.02     0.01   0.00  -0.06
     2   6     0.01  -0.00  -0.04    -0.11  -0.05  -0.00    -0.03  -0.13   0.04
     3   6    -0.08  -0.03  -0.04    -0.04   0.01  -0.06     0.05   0.02   0.07
     4   6    -0.05  -0.06  -0.02     0.10   0.06   0.06    -0.06  -0.05  -0.03
     5   8     0.04   0.00  -0.05    -0.04  -0.01   0.01     0.02   0.01  -0.00
     6   6     0.00   0.01   0.04     0.02   0.02   0.06     0.00   0.04   0.01
     7   7     0.01   0.00   0.01     0.00  -0.00   0.04    -0.01   0.00  -0.05
     8   8    -0.02   0.03   0.06    -0.01  -0.01  -0.02     0.01   0.01   0.01
     9   1     0.67   0.14   0.02     0.17  -0.19  -0.00    -0.12   0.16   0.03
    10   1     0.22   0.00  -0.03     0.70   0.30  -0.03     0.01   0.78  -0.20
    11   1     0.13   0.34   0.52    -0.08  -0.18  -0.29     0.04   0.10   0.15
    12   1    -0.04  -0.08  -0.01    -0.04  -0.18  -0.07     0.04   0.22   0.09
    13   1    -0.00   0.11  -0.02     0.04   0.21   0.00    -0.04  -0.24   0.00
    14   1     0.06  -0.02  -0.07     0.14  -0.02  -0.13     0.00  -0.07  -0.07
    15   1    -0.10  -0.03   0.03    -0.10  -0.03   0.05     0.02  -0.10   0.05
    16   1    -0.00   0.01  -0.07     0.07   0.03  -0.14     0.10   0.03  -0.02
    17   1    -0.01  -0.05  -0.03    -0.01   0.10  -0.01     0.05   0.15   0.13
    18   1     0.02   0.02   0.00    -0.10  -0.05  -0.01    -0.00  -0.05  -0.04
    19   1     0.01  -0.02  -0.03    -0.03   0.01   0.07    -0.03   0.13   0.12
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1374.2619              1402.1854              1414.7888
 Red. masses --      1.4606                 1.2364                 1.4220
 Frc consts  --      1.6252                 1.4323                 1.6770
 IR Inten    --     13.6021                 4.9096                10.0861
 RamAct Fr= 1--      8.8528                 0.0431                 2.5361
  Dep-P Fr= 1--      0.7276                 0.1916                 0.7372
  Dep-U Fr= 1--      0.8424                 0.3216                 0.8487
 Alpha2 Fr= 1--      0.0034                 0.0006                 0.0006
 Beta2  Fr= 1--      1.2429                 0.0023                 0.3587
 AlphaG Fr= 1--     -0.0070                -0.0033                -0.0011
 Gamma2 Fr= 1--      1.7892                 0.0048                -0.2786
 Delta2 Fr= 1--      0.7370                 0.0184                 0.1895
 Raman1 Fr= 1--      35.411                  0.172                 10.144
 ROA1   Fr= 1--     195.350                  1.047                -20.685
 CID1   Fr= 1--       5.517                  6.074                 -2.039
 Raman2 Fr= 1--      14.914                  0.028                  4.305
 ROA2   Fr= 1--      37.046                 -0.033                 -8.203
 CID2   Fr= 1--       2.484                 -1.195                 -1.905
 Raman3 Fr= 1--      29.829                  0.055                  8.610
 ROA3   Fr= 1--     195.350                  1.047                -20.685
 CID3   Fr= 1--       6.549                 18.891                 -2.402
 RC180  Fr= 1--       0.685                 -0.357                  0.697
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03  -0.01   0.01    -0.01  -0.06  -0.00     0.00  -0.06  -0.00
     2   6    -0.11   0.05   0.01     0.02   0.01  -0.01    -0.01   0.03  -0.01
     3   6     0.10  -0.05  -0.01     0.00   0.01  -0.01    -0.05  -0.10   0.05
     4   6    -0.08  -0.04  -0.03    -0.01  -0.01  -0.01     0.08   0.06   0.04
     5   8     0.03   0.01  -0.01     0.00   0.00  -0.00    -0.03  -0.02  -0.00
     6   6     0.02  -0.01   0.02    -0.11  -0.04   0.04     0.02  -0.01  -0.00
     7   7    -0.01   0.01  -0.01     0.00   0.00   0.01     0.00   0.00  -0.06
     8   8     0.01   0.01   0.01     0.00   0.00   0.00    -0.01  -0.01  -0.01
     9   1    -0.52   0.27  -0.14    -0.03  -0.11   0.01     0.26   0.70  -0.03
    10   1     0.59  -0.32   0.16    -0.03  -0.04   0.00     0.01  -0.07   0.02
    11   1     0.06   0.13   0.21     0.01   0.02   0.04    -0.05  -0.12  -0.16
    12   1     0.05   0.06  -0.02    -0.00  -0.04  -0.02     0.03   0.26   0.13
    13   1     0.03  -0.07   0.02     0.01   0.04   0.00    -0.08  -0.23  -0.03
    14   1     0.05   0.04   0.01     0.32   0.29  -0.26    -0.01   0.00   0.04
    15   1    -0.07   0.07  -0.02     0.42   0.22   0.02    -0.05   0.02  -0.02
    16   1    -0.01   0.00  -0.07     0.49  -0.08  -0.16    -0.06  -0.00   0.00
    17   1    -0.03   0.04  -0.05    -0.07   0.23   0.08    -0.08   0.21   0.03
    18   1    -0.12   0.06  -0.01     0.06   0.26  -0.09    -0.04   0.25  -0.09
    19   1    -0.03  -0.05   0.05     0.11   0.21   0.05     0.09   0.22   0.11
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1428.4246              1488.2400              1492.1368
 Red. masses --      1.2476                 1.0515                 1.0453
 Frc consts  --      1.4998                 1.3721                 1.3713
 IR Inten    --      6.4312                 4.1386                 1.9502
 RamAct Fr= 1--      0.5641                 0.8171                 6.4660
  Dep-P Fr= 1--      0.7439                 0.7046                 0.7485
  Dep-U Fr= 1--      0.8531                 0.8267                 0.8562
 Alpha2 Fr= 1--      0.0001                 0.0006                 0.0002
 Beta2  Fr= 1--      0.0802                 0.1126                 0.9227
 AlphaG Fr= 1--     -0.0002                -0.0052                 0.0017
 Gamma2 Fr= 1--     -0.0326                 0.1998                -0.5614
 Delta2 Fr= 1--      0.0615                 0.1167                 0.5809
 Raman1 Fr= 1--       2.257                  3.269                 25.864
 ROA1   Fr= 1--      -1.159                 22.915                -35.302
 CID1   Fr= 1--      -0.514                  7.011                 -1.365
 Raman2 Fr= 1--       0.963                  1.351                 11.072
 ROA2   Fr= 1--      -1.273                  3.861                -18.120
 CID2   Fr= 1--      -1.323                  2.858                 -1.637
 Raman3 Fr= 1--       1.925                  2.702                 22.144
 ROA3   Fr= 1--      -1.159                 22.915                -35.302
 CID3   Fr= 1--      -0.602                  8.480                 -1.594
 RC180  Fr= 1--       0.706                  0.653                  0.712
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.11  -0.01    -0.04   0.01  -0.00     0.02  -0.00   0.02
     2   6     0.00   0.00   0.00    -0.02  -0.02  -0.00     0.01  -0.02  -0.00
     3   6     0.00   0.04  -0.03     0.00  -0.00   0.00    -0.00   0.00  -0.00
     4   6    -0.02  -0.03  -0.01     0.01   0.00   0.00    -0.01  -0.01  -0.00
     5   8     0.01   0.01  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
     6   6     0.06   0.02  -0.02     0.02  -0.03   0.00    -0.00  -0.02  -0.04
     7   7     0.00  -0.00   0.03    -0.00   0.00  -0.00     0.00   0.00   0.00
     8   8     0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
     9   1    -0.05  -0.31   0.01     0.01   0.02  -0.00     0.01  -0.03   0.00
    10   1    -0.01  -0.02   0.01     0.04   0.04  -0.01     0.01   0.07  -0.03
    11   1     0.01   0.04   0.06    -0.00  -0.01  -0.01     0.00   0.00   0.01
    12   1    -0.02  -0.14  -0.06     0.01   0.01   0.00    -0.00  -0.00   0.00
    13   1     0.03   0.12   0.01    -0.00  -0.02   0.00    -0.00   0.01  -0.00
    14   1    -0.18  -0.15   0.17    -0.12   0.21   0.36     0.02   0.44   0.29
    15   1    -0.24  -0.09  -0.02    -0.30   0.37  -0.16    -0.35  -0.05  -0.05
    16   1    -0.26   0.04   0.08     0.20  -0.03  -0.20     0.32  -0.06   0.32
    17   1    -0.11   0.41   0.15     0.06   0.17   0.29    -0.19   0.01  -0.39
    18   1     0.05   0.45  -0.17     0.49  -0.04   0.01    -0.30  -0.14   0.05
    19   1     0.16   0.36   0.15     0.01  -0.21  -0.26     0.18   0.21  -0.05
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1506.6469              1515.7285              1664.2101
 Red. masses --      1.0499                 1.0494                 1.0899
 Frc consts  --      1.4041                 1.4204                 1.7785
 IR Inten    --      3.4507                15.7266                33.1112
 RamAct Fr= 1--      5.9605                 0.4164                 2.0987
  Dep-P Fr= 1--      0.7486                 0.7452                 0.6120
  Dep-U Fr= 1--      0.8562                 0.8540                 0.7593
 Alpha2 Fr= 1--      0.0001                 0.0000                 0.0053
 Beta2  Fr= 1--      0.8506                 0.0593                 0.2656
 AlphaG Fr= 1--     -0.0004                 0.0000                -0.0050
 Gamma2 Fr= 1--     -0.1185                 0.6886                -0.2488
 Delta2 Fr= 1--     -0.2006                 0.2724                 0.0202
 Raman1 Fr= 1--      23.842                  1.666                  8.395
 ROA1   Fr= 1--     -17.794                 74.817                -23.236
 CID1   Fr= 1--      -0.746                 44.922                 -2.768
 Raman2 Fr= 1--      10.207                  0.711                  3.187
 ROA2   Fr= 1--      -1.240                 14.346                 -6.132
 CID2   Fr= 1--      -0.121                 20.173                 -1.924
 Raman3 Fr= 1--      20.414                  1.422                  6.374
 ROA3   Fr= 1--     -17.794                 74.817                -23.236
 CID3   Fr= 1--      -0.872                 52.601                 -3.645
 RC180  Fr= 1--       0.712                  0.708                  0.519
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.01  -0.03    -0.01   0.00  -0.02     0.00  -0.00   0.00
     2   6     0.03  -0.01  -0.01    -0.02   0.01  -0.03    -0.01   0.00  -0.00
     3   6    -0.01   0.01  -0.00     0.00  -0.01   0.00     0.03   0.00  -0.01
     4   6    -0.00   0.00  -0.00     0.00   0.01   0.00    -0.00  -0.00  -0.00
     5   8     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
     6   6     0.00  -0.02   0.01    -0.01   0.01  -0.03     0.00   0.00   0.00
     7   7    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.02  -0.07  -0.02
     8   8     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
     9   1     0.03  -0.04   0.01     0.02  -0.00   0.00    -0.03  -0.05  -0.01
    10   1    -0.05  -0.01  -0.02     0.06  -0.06  -0.01     0.02  -0.02  -0.00
    11   1    -0.00   0.00  -0.00    -0.00  -0.00  -0.01     0.00   0.00   0.00
    12   1    -0.00  -0.01  -0.00     0.00   0.00  -0.00    -0.18   0.38   0.54
    13   1    -0.00   0.01  -0.00     0.01  -0.00   0.00    -0.37   0.58  -0.23
    14   1    -0.11   0.06   0.21     0.18   0.28  -0.05     0.00   0.00  -0.00
    15   1    -0.14   0.31  -0.11    -0.10  -0.40   0.09    -0.00  -0.00   0.00
    16   1     0.11  -0.01  -0.24     0.13  -0.03   0.53    -0.00   0.00  -0.00
    17   1     0.21  -0.36   0.10     0.22  -0.09   0.37     0.00   0.00   0.00
    18   1    -0.35   0.25  -0.09     0.19   0.20  -0.08     0.00   0.01  -0.00
    19   1    -0.30   0.02   0.51    -0.23  -0.20   0.16    -0.01  -0.01  -0.00
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1803.6597              3010.2248              3026.8372
 Red. masses --      9.5263                 1.0815                 1.0403
 Frc consts  --     18.2593                 5.7739                 5.6153
 IR Inten    --    260.4508                 4.4177                23.9904
 RamAct Fr= 1--     12.4767               154.3394                28.0369
  Dep-P Fr= 1--      0.1346                 0.1846                 0.0549
  Dep-U Fr= 1--      0.2372                 0.3117                 0.1041
 Alpha2 Fr= 1--      0.2005                 2.1826                 0.5474
 Beta2  Fr= 1--      0.4933                 8.0175                 0.4863
 AlphaG Fr= 1--     -0.0391                 0.0883                 0.0120
 Gamma2 Fr= 1--      0.2252                -3.0355                -0.1746
 Delta2 Fr= 1--     -0.0108                -3.3319                -0.6047
 Raman1 Fr= 1--      49.907                617.358                112.148
 ROA1   Fr= 1--      21.274               -398.028                -36.113
 CID1   Fr= 1--       0.426                 -0.645                 -0.322
 Raman2 Fr= 1--       5.920                 96.210                  5.836
 ROA2   Fr= 1--       5.491                -46.197                  0.647
 CID2   Fr= 1--       0.928                 -0.480                  0.111
 Raman3 Fr= 1--      11.839                192.420                 11.672
 ROA3   Fr= 1--      21.274               -398.028                -36.113
 CID3   Fr= 1--       1.797                 -2.069                 -3.094
 RC180  Fr= 1--      -0.526                 -0.377                 -0.792
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00    -0.00   0.00   0.01     0.00   0.02   0.01
     2   6     0.01  -0.01   0.00     0.01  -0.02  -0.08     0.00  -0.00  -0.01
     3   6     0.03   0.01  -0.04    -0.00   0.00   0.01    -0.00   0.00   0.00
     4   6    -0.37   0.10   0.59     0.00   0.00  -0.00     0.00   0.00   0.00
     5   8     0.03  -0.01  -0.05    -0.00  -0.00   0.00     0.00  -0.00   0.00
     6   6    -0.00   0.00  -0.01    -0.00   0.00   0.02     0.04  -0.01  -0.03
     7   7    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
     8   8     0.21  -0.08  -0.38    -0.00  -0.00   0.00     0.00  -0.00  -0.00
     9   1     0.24   0.09  -0.01     0.02  -0.02  -0.14     0.01  -0.01  -0.05
    10   1    -0.06   0.02   0.01    -0.07   0.24   0.92    -0.01   0.03   0.12
    11   1     0.09   0.25   0.39     0.00  -0.00  -0.00     0.00   0.00  -0.00
    12   1    -0.01   0.00   0.01    -0.00   0.00   0.00     0.00   0.00   0.00
    13   1    -0.04  -0.03  -0.01    -0.00   0.00   0.00    -0.00   0.00  -0.00
    14   1    -0.02  -0.01   0.02     0.01   0.00   0.01    -0.34   0.20  -0.27
    15   1     0.01   0.01  -0.01     0.02  -0.06  -0.21    -0.08   0.20   0.66
    16   1     0.01   0.00  -0.00     0.00   0.02   0.01    -0.02  -0.31  -0.02
    17   1     0.00   0.02   0.03     0.02   0.00  -0.01    -0.16  -0.05   0.08
    18   1     0.03   0.00   0.00     0.00  -0.04  -0.13     0.00  -0.08  -0.29
    19   1     0.01   0.00  -0.01    -0.01   0.01  -0.00     0.16  -0.09   0.10
                     43                     44                     45
                      A                      A                      A
 Frequencies --   3033.0271              3066.8065              3083.8059
 Red. masses --      1.0377                 1.0853                 1.0988
 Frc consts  --      5.6245                 6.0141                 6.1567
 IR Inten    --     26.0292                14.1574                17.2742
 RamAct Fr= 1--    219.2264                61.9607                39.0296
  Dep-P Fr= 1--      0.0054                 0.0799                 0.5753
  Dep-U Fr= 1--      0.0107                 0.1479                 0.7304
 Alpha2 Fr= 1--      4.8106                 1.1392                 0.1283
 Beta2  Fr= 1--      0.3926                 1.5278                 4.7510
 AlphaG Fr= 1--     -0.3830                 0.3355                 0.0543
 Gamma2 Fr= 1--      0.0591                 5.6216                15.1324
 Delta2 Fr= 1--      0.0664                 4.1209                 9.9012
 Raman1 Fr= 1--     876.906                247.843                156.118
 ROA1   Fr= 1--       7.800                671.544               1769.549
 CID1   Fr= 1--       0.009                  2.710                 11.335
 Raman2 Fr= 1--       4.711                 18.334                 57.012
 ROA2   Fr= 1--       0.887                101.952                283.968
 CID2   Fr= 1--       0.188                  5.561                  4.981
 Raman3 Fr= 1--       9.422                 36.667                114.023
 ROA3   Fr= 1--       7.800                671.544               1769.549
 CID3   Fr= 1--       0.828                 18.315                 15.519
 RC180  Fr= 1--      -0.979                 -0.704                  0.461
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.04  -0.01    -0.00  -0.00   0.01     0.01  -0.01   0.03
     2   6     0.00  -0.00  -0.01     0.00  -0.00  -0.01     0.00  -0.00  -0.01
     3   6    -0.00   0.00   0.01     0.01  -0.01  -0.08     0.00  -0.00  -0.01
     4   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     5   8    -0.00   0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
     6   6     0.02  -0.00  -0.01     0.01   0.00   0.01    -0.04   0.00  -0.07
     7   7     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
     8   8     0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     9   1     0.01  -0.01  -0.09    -0.11   0.15   0.95    -0.01   0.01   0.08
    10   1    -0.01   0.03   0.12    -0.01   0.03   0.13    -0.01   0.02   0.08
    11   1    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    12   1     0.00   0.00  -0.00    -0.01  -0.00  -0.00    -0.00   0.00  -0.00
    13   1    -0.00   0.00   0.00     0.01   0.00  -0.02     0.00   0.00  -0.00
    14   1    -0.15   0.09  -0.12    -0.10   0.06  -0.07     0.54  -0.32   0.40
    15   1    -0.03   0.08   0.28     0.00  -0.01  -0.03    -0.07   0.16   0.51
    16   1    -0.01  -0.14  -0.01    -0.00  -0.05  -0.00     0.00   0.14  -0.01
    17   1     0.40   0.14  -0.20     0.07   0.02  -0.03     0.11   0.04  -0.04
    18   1    -0.00   0.17   0.60    -0.00  -0.01  -0.02     0.00  -0.07  -0.23
    19   1    -0.36   0.20  -0.22    -0.05   0.03  -0.02    -0.17   0.10  -0.10
                     46                     47                     48
                      A                      A                      A
 Frequencies --   3094.2570              3100.5120              3127.1100
 Red. masses --      1.0996                 1.1016                 1.0984
 Frc consts  --      6.2031                 6.2394                 6.3283
 IR Inten    --     48.5166                32.9300                12.0949
 RamAct Fr= 1--     87.6999                61.2416                53.9567
  Dep-P Fr= 1--      0.5309                 0.7311                 0.6140
  Dep-U Fr= 1--      0.6936                 0.8447                 0.7608
 Alpha2 Fr= 1--      0.3718                 0.0198                 0.1347
 Beta2  Fr= 1--     10.1382                 8.6214                 6.8422
 AlphaG Fr= 1--      0.1976                -0.0512                 0.0022
 Gamma2 Fr= 1--    -17.9553                 3.5519                -2.4746
 Delta2 Fr= 1--    -11.7386                 3.4444                -1.1053
 Raman1 Fr= 1--     350.800                244.966                215.827
 ROA1   Fr= 1--   -2099.340                451.199               -272.930
 CID1   Fr= 1--      -5.984                  1.842                 -1.265
 Raman2 Fr= 1--     121.658                103.457                 82.106
 ROA2   Fr= 1--    -337.017                 57.690                -50.547
 CID2   Fr= 1--      -2.770                  0.558                 -0.616
 Raman3 Fr= 1--     243.317                206.915                164.212
 ROA3   Fr= 1--   -2099.340                451.199               -272.930
 CID3   Fr= 1--      -8.628                  2.181                 -1.662
 RC180  Fr= 1--       0.387                  0.689                  0.522
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.01  -0.08    -0.09   0.01   0.00     0.00   0.00   0.00
     2   6     0.00  -0.00  -0.02    -0.00   0.00   0.00     0.00  -0.00  -0.00
     3   6     0.00  -0.00  -0.01     0.00  -0.00   0.00    -0.00  -0.00  -0.00
     4   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     5   8     0.00   0.00   0.00     0.00   0.00  -0.00     0.00   0.00   0.00
     6   6    -0.01   0.00  -0.03    -0.00  -0.00  -0.00     0.01  -0.09  -0.00
     7   7    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
     8   8    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
     9   1    -0.01   0.01   0.10     0.00  -0.00  -0.01    -0.00   0.00   0.00
    10   1    -0.01   0.04   0.16     0.00  -0.00  -0.01    -0.00   0.01   0.03
    11   1    -0.00   0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    12   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    13   1     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    14   1     0.18  -0.11   0.13     0.04  -0.02   0.03    -0.23   0.12  -0.18
    15   1    -0.03   0.06   0.19    -0.00   0.01   0.02    -0.02   0.04   0.18
    16   1     0.00   0.04  -0.00     0.00   0.02   0.00     0.08   0.92   0.04
    17   1    -0.37  -0.13   0.16     0.62   0.24  -0.31    -0.00  -0.00   0.00
    18   1    -0.00   0.19   0.63    -0.02  -0.01  -0.05     0.00   0.00   0.00
    19   1     0.38  -0.22   0.21     0.50  -0.30   0.32    -0.01   0.01  -0.01
                     49                     50                     51
                      A                      A                      A
 Frequencies --   3480.5984              3557.6323              3708.1296
 Red. masses --      1.0492                 1.0925                 1.0638
 Frc consts  --      7.4887                 8.1467                 8.6187
 IR Inten    --      1.6433                 4.4881                50.4405
 RamAct Fr= 1--    112.5824                57.4393               148.9659
  Dep-P Fr= 1--      0.0746                 0.6127                 0.2348
  Dep-U Fr= 1--      0.1388                 0.7598                 0.3803
 Alpha2 Fr= 1--      2.0968                 0.1449                 1.8417
 Beta2  Fr= 1--      2.6040                 7.2738                 9.4416
 AlphaG Fr= 1--      0.1739                 0.1031                -0.1084
 Gamma2 Fr= 1--      0.3974                -0.3632                -1.6205
 Delta2 Fr= 1--      0.1517                 0.2550                -0.9388
 Raman1 Fr= 1--     450.330                229.757                595.864
 ROA1   Fr= 1--      43.001                -26.705               -185.604
 CID1   Fr= 1--       0.095                 -0.116                 -0.311
 Raman2 Fr= 1--      31.248                 87.286                113.299
 ROA2   Fr= 1--       8.324                -10.757                -31.381
 CID2   Fr= 1--       0.266                 -0.123                 -0.277
 Raman3 Fr= 1--      62.496                174.572                226.598
 ROA3   Fr= 1--      43.001                -26.705               -185.604
 CID3   Fr= 1--       0.688                 -0.153                 -0.819
 RC180  Fr= 1--      -0.722                  0.520                 -0.239
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     2   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
     3   6     0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     4   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
     5   8     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.05  -0.02   0.02
     6   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
     7   7     0.04  -0.03  -0.03    -0.02   0.02  -0.07    -0.00  -0.00  -0.00
     8   8    -0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     9   1    -0.00   0.00   0.01    -0.00   0.00   0.02     0.00   0.00   0.00
    10   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    11   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.87   0.34  -0.35
    12   1    -0.35   0.32  -0.39     0.48  -0.40   0.47     0.00  -0.00   0.00
    13   1    -0.18   0.15   0.75    -0.18   0.12   0.57    -0.00  -0.00   0.00
    14   1    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    15   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    16   1     0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
    17   1    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    18   1    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    19   1    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00   0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  8 and mass  15.99491
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  7 and mass  14.00307
 Atom     8 has atomic number  8 and mass  15.99491
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Molecular mass:   117.07898 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   641.794321148.021431465.82038
           X            0.99984  -0.01670   0.00645
           Y            0.01681   0.99971  -0.01703
           Z           -0.00617   0.01714   0.99983
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.13496     0.07545     0.05909
 Rotational constants (GHZ):           2.81202     1.57204     1.23122
 Zero-point vibrational energy     431240.9 (Joules/Mol)
                                  103.06904 (Kcal/Mol)
 Warning -- explicit consideration of  12 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     78.38   101.67   246.66   315.73   339.31
          (Kelvin)            362.65   394.92   434.66   513.88   543.88
                              618.65   751.37   895.34   954.57  1096.98
                             1197.98  1232.82  1312.33  1350.48  1381.06
                             1421.64  1542.87  1603.96  1633.55  1658.29
                             1722.06  1796.74  1847.52  1937.01  1961.25
                             1977.26  2017.43  2035.57  2055.18  2141.25
                             2146.85  2167.73  2180.80  2394.43  2595.06
                             4331.04  4354.94  4363.85  4412.45  4436.91
                             4451.95  4460.95  4499.21  5007.80  5118.64
                             5335.17
 
 Zero-point correction=                           0.164251 (Hartree/Particle)
 Thermal correction to Energy=                    0.173760
 Thermal correction to Enthalpy=                  0.174704
 Thermal correction to Gibbs Free Energy=         0.129892
 Sum of electronic and zero-point Energies=           -402.406495
 Sum of electronic and thermal Energies=              -402.396986
 Sum of electronic and thermal Enthalpies=            -402.396042
 Sum of electronic and thermal Free Energies=         -402.440854
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  109.036             34.351             94.314
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.188
 Rotational               0.889              2.981             28.470
 Vibrational            107.259             28.389             25.656
 Vibration     1          0.596              1.976              4.648
 Vibration     2          0.598              1.968              4.135
 Vibration     3          0.626              1.878              2.420
 Vibration     4          0.647              1.811              1.964
 Vibration     5          0.655              1.786              1.834
 Vibration     6          0.664              1.759              1.716
 Vibration     7          0.677              1.720              1.568
 Vibration     8          0.694              1.670              1.405
 Vibration     9          0.732              1.561              1.134
 Vibration    10          0.748              1.517              1.047
 Vibration    11          0.791              1.405              0.859
 Vibration    12          0.877              1.201              0.605
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.179362D-59        -59.746269       -137.570869
 Total V=0       0.636595D+16         15.803863         36.389740
 Vib (Bot)       0.968277D-73        -73.014001       -168.120949
 Vib (Bot)    1  0.379278D+01          0.578958          1.333100
 Vib (Bot)    2  0.291827D+01          0.465125          1.070991
 Vib (Bot)    3  0.117495D+01          0.070018          0.161221
 Vib (Bot)    4  0.901596D+00         -0.044988         -0.103588
 Vib (Bot)    5  0.832999D+00         -0.079355         -0.182722
 Vib (Bot)    6  0.773555D+00         -0.111509         -0.256758
 Vib (Bot)    7  0.702467D+00         -0.153374         -0.353156
 Vib (Bot)    8  0.628757D+00         -0.201517         -0.464010
 Vib (Bot)    9  0.514146D+00         -0.288913         -0.665248
 Vib (Bot)   10  0.478964D+00         -0.319697         -0.736129
 Vib (Bot)   11  0.405225D+00         -0.392304         -0.903314
 Vib (Bot)   12  0.308452D+00         -0.510812         -1.176188
 Vib (V=0)       0.343662D+03          2.536132          5.839660
 Vib (V=0)    1  0.432560D+01          0.636046          1.464550
 Vib (V=0)    2  0.346079D+01          0.539176          1.241498
 Vib (V=0)    3  0.177691D+01          0.249665          0.574875
 Vib (V=0)    4  0.153096D+01          0.184964          0.425894
 Vib (V=0)    5  0.147154D+01          0.167772          0.386309
 Vib (V=0)    6  0.142108D+01          0.152618          0.351417
 Vib (V=0)    7  0.136224D+01          0.134254          0.309131
 Vib (V=0)    8  0.130333D+01          0.115054          0.264921
 Vib (V=0)    9  0.121718D+01          0.085355          0.196536
 Vib (V=0)   10  0.119239D+01          0.076419          0.175961
 Vib (V=0)   11  0.114359D+01          0.058270          0.134172
 Vib (V=0)   12  0.108749D+01          0.036425          0.083871
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.497935D+08          7.697172         17.723394
 Rotational      0.372014D+06          5.570559         12.826686
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3     3 3        33333333                                         1    11111111111  111111 1                                    
     7     5 4        11000000                                         8    65544444333  221111 0 9999 88 7   66   5  43332222 1     
     0     5 8        20986321                                         0    61098210764  849531 7 8631 53 6   62   2  37507531 7  75 
     8     8 1        71447370                                         4    46728852436  497355 2 8092 73 2   32   2  08724269 1  14 
 
     X     X X        XXXXXXXX                                         X    XXXXXXXXXXX  XXXXXX X XXXX XX X   XX   X  XXXXXXXX X  XX 
     X                 XX  XX                                          X    X               XX    X  X XX X   XX           X         
     X                 XX                                              X    X                X       X XX X    X                     
     X                  X                                              X                     X         XX      X                     
                                                                       X                     X          X      X                     
                                                                       X                     X                 X                     
                                                                       X                     X                                       
                                                                       X                     X                                       
                                                                       X                     X                                       
                                                                       X                     X                                       
                                                                       X                     X                                       
                                                                       X                     X                                       
                                                                       X                     X                                       
                                                                       X                     X                                       
                                                                       X                     X                                       
                                                                       X                     X                                       
                                                                       X                     X                                       
                                                                       X                                                             
                                                                       X                                                             
                                                                       X                                                             
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000000049    0.000005963   -0.000000733
      2        6           0.000005019   -0.000014311    0.000003672
      3        6          -0.000016054    0.000008367   -0.000003031
      4        6           0.000011180    0.000011343    0.000012006
      5        8          -0.000004190   -0.000006111   -0.000006941
      6        6          -0.000002392   -0.000000766   -0.000006625
      7        7           0.000005978   -0.000004704    0.000002399
      8        8          -0.000000525   -0.000000095   -0.000005027
      9        1           0.000000035   -0.000000608   -0.000000371
     10        1          -0.000000806    0.000000257   -0.000000287
     11        1           0.000000196   -0.000000016   -0.000000147
     12        1          -0.000000579    0.000002362   -0.000001778
     13        1           0.000000698    0.000000241    0.000001081
     14        1           0.000000602    0.000000045   -0.000000959
     15        1           0.000000126   -0.000001360    0.000002329
     16        1          -0.000001648   -0.000002638    0.000001946
     17        1           0.000001858    0.000001877   -0.000001321
     18        1          -0.000000151    0.000000096    0.000002044
     19        1           0.000000704    0.000000057    0.000001742
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000016054 RMS     0.000004789
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.882463D+02  0.250961D+01 -0.138382D+01
      2   0.250961D+01  0.810521D+02  0.182166D+01
      3  -0.138382D+01  0.182166D+01  0.721924D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.147718D+01 -0.282731D+00  0.154221D+01
      2   0.300959D+01 -0.493144D+01  0.236303D+02
      3   0.645401D+01 -0.364141D+02  0.564201D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.782515D+02 -0.184600D+02  0.701611D+01
      2  -0.345241D+02  0.131622D+02 -0.355912D+01
      3  -0.437273D+02  0.529774D+01 -0.345699D+01
      4  -0.241712D+02  0.613038D+02 -0.169042D+02
      5   0.683389D+01 -0.176928D+02  0.336973D+02
      6  -0.550753D+01 -0.213603D+01 -0.100174D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.969863D+00  0.444268D+01 -0.381366D+01  0.365650D+01 -0.113745D+01
      2   0.444268D+01 -0.138460D+01  0.502685D+00 -0.113745D+01 -0.377057D+01
      3  -0.381366D+01  0.502685D+00 -0.249648D+00  0.399431D+00 -0.288449D+00
                 6             7             8             9            10 
      1   0.399431D+00 -0.409131D+01  0.437693D+00 -0.387089D+00  0.159453D+00
      2  -0.288449D+00  0.437693D+00 -0.771441D+00  0.358584D+01 -0.431530D+01
      3   0.272561D+01 -0.387089D+00  0.358584D+01  0.455183D+01  0.236584D+01
                11            12            13            14            15 
      1  -0.431530D+01  0.236584D+01 -0.631678D+01  0.163059D+01 -0.429882D-01
      2   0.195760D+01 -0.749236D-01  0.163059D+01  0.456025D+01 -0.177204D+00
      3  -0.749236D-01  0.762113D+00 -0.429882D-01 -0.177204D+00 -0.234640D+01
                16            17            18            19            20 
      1   0.504311D+01 -0.793323D-01  0.113667D+01 -0.125213D+01  0.554516D+01
      2  -0.793323D-01  0.620273D+00 -0.280633D+01  0.554516D+01 -0.147826D+00
      3   0.113667D+01 -0.280633D+01 -0.762479D+01 -0.757149D+00  0.162149D+00
                21            22            23            24            25 
      1  -0.757149D+00  0.391840D+01 -0.113957D+01  0.319466D+00 -0.441636D+01
      2   0.162149D+00 -0.113957D+01 -0.292250D+01 -0.147106D-01 -0.305970D+00
      3  -0.712510D+00  0.319466D+00 -0.147106D-01  0.140809D+01 -0.849174D+00
                26            27            28            29            30 
      1  -0.305970D+00 -0.849174D+00 -0.916648D+00 -0.231669D+01 -0.405914D+00
      2  -0.199974D+01  0.162486D+01 -0.231669D+01  0.113069D+01  0.903006D+00
      3   0.162486D+01  0.625840D+01 -0.405914D+00  0.903006D+00  0.179733D+01
                31            32            33            34            35 
      1  -0.219284D+01 -0.221557D+00  0.131252D+01 -0.317057D+01  0.601078D+00
      2  -0.221557D+00 -0.117228D+01  0.423404D+00  0.601078D+00 -0.188029D-01
      3   0.131252D+01  0.423404D+00 -0.272382D+00  0.280522D+01 -0.396456D-01
                36            37            38            39            40 
      1   0.280522D+01  0.589404D+01  0.236038D+01 -0.170617D+01  0.198994D+01
      2  -0.396456D-01  0.236038D+01  0.151215D+01 -0.268155D+00  0.106593D+01
      3  -0.404854D+01 -0.170617D+01 -0.268155D+00 -0.179124D+00 -0.713745D+00
                41            42            43            44            45 
      1   0.106593D+01 -0.713745D+00 -0.368274D+01 -0.156662D+01 -0.207878D+01
      2  -0.154215D+01 -0.175524D+01 -0.156662D+01 -0.273260D+01 -0.156701D+01
      3  -0.175524D+01 -0.587502D+00 -0.207878D+01 -0.156701D+01 -0.402194D+01
                46            47            48            49            50 
      1   0.387064D+00  0.347994D+01 -0.329985D+01  0.429786D+01 -0.181269D+01
      2   0.347994D+01 -0.850092D+00  0.323706D+00 -0.181269D+01 -0.561647D+01
      3  -0.329985D+01  0.323706D+00 -0.173605D+01  0.522265D+00 -0.413431D+00
                51            52            53            54            55 
      1   0.522265D+00 -0.533713D+01  0.255577D+00 -0.273938D+01  0.223283D+01
      2  -0.413431D+00  0.255577D+00 -0.617025D+00  0.245177D+01 -0.235076D+01
      3   0.265014D+01 -0.273938D+01  0.245177D+01  0.528560D+01  0.117891D+01
                56            57            58            59            60 
      1  -0.235076D+01  0.117891D+01 -0.848698D+00  0.250322D+01 -0.909347D+00
      2   0.281544D+01 -0.533053D+00  0.250322D+01  0.393351D+01  0.555992D+00
      3  -0.533053D+00  0.242076D+01 -0.909347D+00  0.555992D+00 -0.134355D+01
                61            62            63            64            65 
      1   0.184815D+01 -0.121987D+01  0.261733D+01 -0.492011D+01  0.722862D+00
      2  -0.121987D+01  0.726815D+00 -0.155308D+01  0.722862D+00 -0.175101D+01
      3   0.261733D+01 -0.155308D+01 -0.305227D+01  0.334286D+01 -0.725671D+00
                66            67            68            69            70 
      1   0.334286D+01  0.170533D+01 -0.124443D+01 -0.704836D+00  0.613803D+01
      2  -0.725671D+00 -0.124443D+01  0.213136D+01  0.194576D+01  0.173002D+00
      3  -0.269203D+01 -0.704836D+00  0.194576D+01  0.732088D+00 -0.354999D+01
                71            72            73            74            75 
      1   0.173002D+00 -0.354999D+01  0.699797D+00 -0.657106D+00 -0.100428D+01
      2   0.332953D+01  0.737280D+00 -0.657106D+00  0.356714D+00  0.153227D-02
      3   0.737280D+00  0.875699D+01 -0.100428D+01  0.153227D-02  0.962332D+00
                76            77            78            79            80 
      1  -0.902309D+00  0.217811D+00 -0.286972D-01 -0.129070D+01  0.133874D+00
      2   0.217811D+00  0.111175D+00 -0.101230D+01  0.133874D+00 -0.136705D+01
      3  -0.286972D-01 -0.101230D+01 -0.779339D+00  0.361650D+00 -0.261910D+00
                81            82            83            84            85 
      1   0.361650D+00 -0.412305D+00  0.932454D+00  0.684051D+00  0.115236D+01
      2  -0.261910D+00  0.932454D+00 -0.418881D+00 -0.640703D-03 -0.237118D+00
      3  -0.727717D+01  0.684051D+00 -0.640703D-03 -0.263293D+00  0.456795D-01
                86            87            88            89            90 
      1  -0.237118D+00  0.456795D-01  0.131209D+01 -0.274562D-01  0.144759D-01
      2   0.242571D+00  0.128393D+01 -0.274562D-01  0.193975D+01  0.124998D+01
      3   0.128393D+01  0.150557D+01  0.144759D-01  0.124998D+01  0.770237D+01
                91            92            93            94            95 
      1  -0.877963D+01 -0.395346D+01 -0.605393D+00 -0.303219D+01 -0.222796D+01
      2  -0.395346D+01 -0.291657D+01 -0.384029D+00 -0.222796D+01 -0.217356D+01
      3  -0.605393D+00 -0.384029D+00 -0.130105D+01 -0.129763D+00 -0.340638D+00
                96            97            98            99           100 
      1  -0.129763D+00  0.242891D+01  0.118158D+01 -0.749295D+00 -0.194668D+01
      2  -0.340638D+00  0.118158D+01  0.719434D+00 -0.373625D+00  0.254171D+01
      3  -0.622292D+00 -0.749295D+00 -0.373625D+00 -0.321114D-01 -0.128221D+01
               101           102           103           104           105 
      1   0.254171D+01 -0.128221D+01  0.220450D+01 -0.232038D+01  0.112919D+01
      2  -0.323866D+01  0.143673D+01 -0.232038D+01  0.461576D+01 -0.155762D+01
      3   0.143673D+01 -0.139684D+01  0.112919D+01 -0.155762D+01  0.138747D+01
               106           107           108           109           110 
      1  -0.224365D+01  0.177971D+01 -0.160763D+01 -0.263654D+00  0.717476D+00
      2   0.177971D+01 -0.324758D+01  0.204261D+01  0.717476D+00 -0.831313D+00
      3  -0.160763D+01  0.204261D+01 -0.217588D+01  0.286441D+00 -0.564432D+00
               111           112           113           114           115 
      1   0.286441D+00  0.708071D+00 -0.362986D+00 -0.534734D+00  0.145168D+01
      2  -0.564432D+00 -0.362986D+00  0.154481D+01  0.870073D+00 -0.476712D+00
      3  -0.872638D+00 -0.534734D+00  0.870073D+00  0.123564D+01 -0.986232D+00
               116           117           118           119           120 
      1  -0.476712D+00 -0.986232D+00  0.710824D+01 -0.169995D+01  0.235118D+01
      2   0.294574D+01  0.207685D+01 -0.169995D+01  0.131082D+01 -0.554057D+00
      3   0.207685D+01  0.488845D+01  0.235118D+01 -0.554057D+00  0.186814D+01
               121           122           123           124           125 
      1  -0.340480D+01  0.170212D+01 -0.762485D+00  0.458012D+01 -0.744330D+00
      2   0.170212D+01 -0.812743D+00  0.741639D+00 -0.744330D+00  0.110619D+01
      3  -0.762485D+00  0.741639D+00 -0.113130D+01  0.232128D+01 -0.878467D+00
               126           127           128           129           130 
      1   0.232128D+01  0.105878D+01 -0.460950D+00 -0.809228D+00 -0.129293D+01
      2  -0.878467D+00 -0.460950D+00  0.241779D+00  0.109184D+00  0.609787D+00
      3   0.159754D+01 -0.809228D+00  0.109184D+00  0.903047D+00  0.477908D+00
               131           132           133           134           135 
      1   0.609787D+00  0.477908D+00 -0.239565D+01  0.182888D+00  0.248327D+01
      2  -0.290995D+00 -0.100392D+01  0.182888D+00 -0.148052D+01 -0.987306D+00
      3  -0.100392D+01 -0.166071D+01  0.248327D+01 -0.987306D+00 -0.705689D+01
               136           137           138           139           140 
      1   0.874922D+00  0.939933D+00  0.288662D+00  0.258491D+01  0.214946D+01
      2   0.939933D+00  0.138098D+01 -0.444339D-01  0.214946D+01  0.761214D+01
      3   0.288662D+00 -0.444339D-01  0.339589D+00 -0.150231D+00 -0.405304D-01
               141           142           143           144           145 
      1  -0.150231D+00  0.586555D+00  0.358096D-01  0.685240D+00 -0.523153D+01
      2  -0.405304D-01  0.358096D-01  0.231884D+00  0.611073D+00 -0.201068D+01
      3   0.921160D+00  0.685240D+00  0.611073D+00 -0.399899D+00  0.167608D+01
               146           147           148           149           150 
      1  -0.201068D+01  0.167608D+01 -0.146674D+01 -0.160110D+01  0.666578D+00
      2  -0.294714D+01  0.951122D+00 -0.160110D+01 -0.176897D+01  0.813205D+00
      3   0.951122D+00 -0.144793D+01  0.666578D+00  0.813205D+00 -0.965016D+00
               151           152           153           154           155 
      1   0.200902D+01  0.814352D+00 -0.117985D+01 -0.940094D-01 -0.837123D+00
      2   0.814352D+00  0.161676D+01 -0.136664D+01 -0.837123D+00  0.218739D+00
      3  -0.117985D+01 -0.136664D+01  0.111449D+01 -0.429654D+00  0.213215D-01
               156           157           158           159           160 
      1  -0.429654D+00 -0.601440D+00  0.153198D+00 -0.242430D-01 -0.106714D+01
      2   0.213215D-01  0.153198D+00 -0.152053D+01 -0.135055D+01  0.132458D+00
      3   0.160997D+00 -0.242430D-01 -0.135055D+01 -0.157259D+01  0.219397D+00
               161           162           163           164           165 
      1   0.132458D+00  0.219397D+00  0.443171D+01 -0.308058D+01  0.193948D+01
      2  -0.322986D+01 -0.271363D+01 -0.308058D+01  0.356118D+01 -0.126204D+01
      3  -0.271363D+01 -0.598147D+01  0.193948D+01 -0.126204D+01  0.163682D+01
               166           167           168           169           170 
      1  -0.215916D+01  0.227312D+01 -0.871968D+00  0.229758D+01 -0.130773D+01
      2   0.227312D+01 -0.316082D+01  0.132060D+01 -0.130773D+01  0.222825D+01
      3  -0.871968D+00  0.132060D+01 -0.128468D+01  0.148290D+01 -0.183262D+01
               171 
      1   0.148290D+01
      2  -0.183262D+01
      3   0.151528D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.708601D+01  0.519836D+00 -0.942229D-01  0.141469D+00 -0.380489D+01
      2  -0.452412D+01 -0.101816D+00  0.218613D+01 -0.184254D+00  0.328522D+00
      3  -0.824457D+01 -0.123281D+02  0.789657D+01 -0.572538D+01  0.673488D+01
                 6             7             8             9            10 
      1   0.435914D+01 -0.704989D+00  0.111105D+02  0.101088D+02 -0.955275D-02
      2   0.280697D+01 -0.128751D+01  0.376427D+01  0.491949D+01  0.377077D+01
      3  -0.539772D+00  0.830756D+01 -0.589040D+00 -0.372957D+01  0.605769D+01
                11            12            13            14            15 
      1   0.137212D+00  0.239238D+00 -0.559828D+00  0.251286D+01 -0.328638D+01
      2  -0.515069D-01  0.318638D+01 -0.100441D+01 -0.276944D+00 -0.302347D+01
      3  -0.404667D+01 -0.610063D+00  0.217076D+01 -0.704258D+01  0.409413D+00
                16            17            18            19            20 
      1   0.177443D+00  0.326725D+01 -0.273938D+01 -0.172095D+01 -0.161366D+01
      2  -0.320894D+01 -0.362696D+01 -0.927044D+01  0.264764D+01 -0.721499D+00
      3   0.162018D+01 -0.560830D+00  0.344532D+01  0.820341D+00 -0.312002D+01
                21            22            23            24            25 
      1  -0.405246D+00 -0.501755D-01  0.396980D+01 -0.100808D+01  0.605786D+00
      2   0.212337D+01  0.292818D+00 -0.250435D+01  0.116173D+01 -0.773485D+01
      3   0.942992D+00  0.106006D+01 -0.357419D+01  0.131480D+01 -0.336088D+01
                26            27            28            29            30 
      1   0.413113D+01 -0.356697D+01  0.328879D+00  0.238681D+01  0.261645D+01
      2  -0.154090D+00  0.267876D+00 -0.616581D+01  0.591219D+00 -0.245756D+01
      3   0.129683D+01 -0.554042D+00 -0.987807D+01  0.483158D+01 -0.147385D+01
                31            32            33            34            35 
      1  -0.290353D+00 -0.616312D+01 -0.608021D+01  0.203614D+01 -0.263969D+01
      2   0.339283D+01  0.212904D+01 -0.194059D+01 -0.322476D+01 -0.935792D+00
      3   0.150594D+02  0.899472D+01 -0.205663D+01 -0.782916D+01 -0.780805D+01
                36            37            38            39            40 
      1   0.499532D+01 -0.232897D+01  0.559542D+00 -0.859725D+00 -0.879968D+00
      2   0.959132D+01  0.661345D+01  0.212802D+01  0.160301D+01 -0.623704D+00
      3  -0.136131D+01  0.236825D+01 -0.582285D+00  0.813311D+00  0.251873D+01
                41            42            43            44            45 
      1   0.186858D+01 -0.218415D+01  0.239676D+01  0.549640D+01 -0.280977D+01
      2   0.330451D+01  0.139360D+01 -0.519542D+01  0.901814D+00  0.789939D+01
      3  -0.499100D+01 -0.261179D+01  0.271572D+01 -0.189742D+01 -0.182097D+01
                46            47            48            49            50 
      1   0.486034D+00  0.692715D+00  0.362944D-01  0.155741D+01  0.214196D+01
      2  -0.106463D+02  0.138464D+01 -0.457881D+01  0.250056D+01 -0.161698D+01
      3  -0.882238D+01  0.211980D+01 -0.194178D+01  0.105906D+02  0.178992D+02
                51            52            53            54            55 
      1  -0.268604D+01  0.105315D+01  0.862600D+00 -0.219640D+01 -0.140654D+01
      2   0.734744D+01 -0.125558D+02  0.671128D+01  0.142537D+02  0.149666D+01
      3   0.588468D+00 -0.358298D+01  0.146863D+01 -0.804254D+01  0.639347D+01
                56            57            58            59            60 
      1   0.287004D+01 -0.740594D+01  0.203749D+01 -0.411037D+01 -0.892469D+00
      2   0.566201D+00  0.427708D+01  0.524155D+00  0.168980D+01  0.268313D+00
      3  -0.111383D+02  0.256790D+01  0.259512D+01  0.667465D+01 -0.223746D+01
                61            62            63            64            65 
      1  -0.725570D+01  0.879955D+01  0.727318D+01 -0.155885D-01 -0.382747D+01
      2  -0.487994D+00  0.324649D+00 -0.894142D+00  0.243739D+00  0.153369D+01
      3   0.327188D+01 -0.276824D+01  0.769431D+01  0.205849D+01 -0.740866D+01
                66            67            68            69            70 
      1  -0.889493D-01 -0.381275D+00  0.146663D+01 -0.915699D+00 -0.113434D+01
      2   0.826051D+01  0.177308D+00 -0.451494D+01 -0.104779D+01 -0.308791D+01
      3  -0.508914D+00 -0.259419D+01  0.420367D+00  0.428037D+01  0.440478D+01
                71            72            73            74            75 
      1   0.706663D+01 -0.825987D+00  0.915588D+00 -0.463383D+00  0.873877D-02
      2  -0.192100D+01 -0.161771D+02  0.713241D+00 -0.276261D+00  0.443052D+00
      3   0.784823D+01  0.222385D+01  0.137103D+00 -0.923883D+00 -0.625302D+00
                76            77            78            79            80 
      1  -0.546050D-01  0.778078D+00 -0.696009D-01 -0.303649D+00  0.387800D+01
      2  -0.727755D+00  0.128808D+00 -0.368921D+00 -0.372617D+01  0.143032D+00
      3   0.138405D+01  0.142758D+00 -0.815960D-01  0.632603D-01  0.261768D+00
                81            82            83            84            85 
      1   0.373147D+01  0.107648D+01 -0.648134D+00 -0.204476D-01 -0.273916D+00
      2   0.292774D+00  0.170728D+01 -0.552799D+00  0.193442D+00 -0.138035D+01
      3  -0.344446D+00 -0.126739D+01 -0.711354D+00 -0.113799D+00  0.139387D+01
                86            87            88            89            90 
      1   0.104563D+01 -0.330147D+00 -0.455018D+00  0.431348D+01  0.193442D+01
      2   0.199663D+01  0.180122D+01 -0.406111D+01  0.200856D+01  0.939129D+01
      3  -0.393291D+00 -0.137487D+01  0.296306D+00 -0.209517D+01 -0.142467D+01
                91            92            93            94            95 
      1   0.320697D+01  0.199816D+01 -0.131863D+01  0.189887D+01  0.156920D+01
      2  -0.582251D+01 -0.265378D+01  0.358677D+01 -0.284002D+01 -0.161503D+01
      3   0.458934D-01 -0.443683D+01 -0.701833D+00 -0.996449D+00 -0.312667D+01
                96            97            98            99           100 
      1  -0.556129D+00 -0.103000D+01 -0.212613D+00  0.768574D+00  0.254195D+01
      2   0.162563D+01  0.212499D+01  0.100405D+01 -0.165446D+01 -0.187112D+01
      3   0.180778D+00  0.655969D+00  0.153075D+01 -0.285854D+00 -0.609740D+01
               101           102           103           104           105 
      1  -0.257095D+01  0.424496D+01 -0.254081D+01  0.231959D+01 -0.382180D+01
      2   0.372988D+00  0.636978D+00  0.854983D+00 -0.447762D+00 -0.274236D+00
      3   0.465870D+01 -0.325757D+01  0.755696D+01 -0.542460D+01  0.310282D+01
               106           107           108           109           110 
      1   0.365376D+01 -0.276509D+01  0.454388D+01 -0.988845D+00  0.901935D+00
      2  -0.179605D+01  0.364946D+00  0.181593D-01  0.735472D+00  0.519454D-01
      3  -0.655940D+01  0.423679D+01 -0.433130D+01 -0.120659D+01  0.384617D+00
               111           112           113           114           115 
      1   0.314847D+01  0.106879D+01 -0.282791D+01 -0.350076D+01  0.323026D+01
      2  -0.322270D+00  0.241254D+00  0.284123D+00 -0.168126D+00 -0.272631D+01
      3   0.705164D+00  0.173492D+01 -0.143702D+01 -0.145386D+01  0.427024D+01
               116           117           118           119           120 
      1  -0.337854D+01 -0.127415D+02 -0.279719D+00  0.483813D+00  0.336358D+00
      2   0.161531D+00  0.876502D+00  0.709732D+01 -0.203512D+01  0.804255D+01
      3  -0.146661D+01 -0.350968D+01  0.588825D+01 -0.674666D+01  0.253205D+01
               121           122           123           124           125 
      1  -0.165796D+00 -0.497208D+00 -0.707439D+00 -0.145225D+00  0.148960D+01
      2  -0.225081D+01  0.231117D+01 -0.454449D+01  0.560552D+01 -0.286923D+01
      3  -0.407518D+01  0.362745D+01 -0.223279D+01  0.293741D+01 -0.450523D+01
               126           127           128           129           130 
      1   0.145002D+00  0.454481D+00 -0.289378D+00 -0.494980D+00 -0.120515D-01
      2   0.562111D+01 -0.215003D+01  0.156738D+00  0.382843D+01  0.260677D+00
      3   0.320299D+01  0.158024D+01 -0.174285D+01 -0.688059D+00 -0.799636D+00
               131           132           133           134           135 
      1   0.925393D+00 -0.228857D+00 -0.628778D+00  0.370373D+01  0.200344D+01
      2  -0.255498D+01 -0.470817D+01  0.304523D+01 -0.301307D+01 -0.198693D+02
      3   0.102739D+01  0.246000D+01 -0.566795D+00  0.495205D+01  0.398826D+01
               136           137           138           139           140 
      1  -0.256490D+00 -0.426085D+00 -0.603254D+00 -0.234818D+00 -0.169315D+01
      2   0.101100D+01 -0.117583D+00  0.137602D+01 -0.665334D-01  0.354787D+00
      3  -0.212176D+01 -0.367125D+01  0.256478D+00 -0.728792D+00 -0.230205D+02
               141           142           143           144           145 
      1  -0.262146D+01 -0.567445D+00  0.698834D+00  0.218929D+00  0.294959D+01
      2   0.338492D+01  0.459532D+00  0.159355D+01 -0.115179D+01  0.475340D+01
      3  -0.241496D-01  0.382937D+00 -0.526018D+00 -0.956808D+00  0.162945D+02
               146           147           148           149           150 
      1  -0.440171D-01 -0.377886D+01  0.630428D+00  0.939843D+00 -0.267464D+01
      2   0.116706D+01 -0.137332D+00  0.112987D+01  0.145280D+01 -0.353052D+00
      3   0.432123D+01 -0.463526D+01  0.628472D+01  0.426830D+01 -0.240095D+01
               151           152           153           154           155 
      1  -0.259317D+01 -0.767771D+00  0.176362D+01 -0.998357D+00 -0.425662D-01
      2  -0.338610D+01 -0.131501D+01  0.849408D+00 -0.500989D+00  0.177183D+00
      3  -0.575036D+01 -0.230924D+01  0.382370D+01  0.157089D+01  0.441631D+00
               156           157           158           159           160 
      1   0.133132D+00  0.106687D-01 -0.279266D+01 -0.525009D+01  0.350478D+00
      2   0.792886D+00 -0.363929D+00 -0.124087D+01 -0.139643D+01 -0.248920D+01
      3   0.649713D+00  0.237342D+01  0.109580D+01  0.134714D+01  0.308936D+01
               161           162           163           164           165 
      1  -0.311705D+01 -0.143717D+02  0.313104D+01 -0.624424D+00  0.430661D+01
      2  -0.264511D+01 -0.613177D+01  0.199716D+00 -0.709244D+00  0.305827D+01
      3   0.346306D+01  0.276019D+01 -0.683393D+01 -0.431584D+00 -0.271777D+01
               166           167           168           169           170 
      1  -0.121034D+01  0.144167D+01 -0.364410D+01  0.257149D+01 -0.140603D+01
      2   0.673161D-01  0.791658D+00 -0.196455D+01 -0.394566D+00 -0.175058D+01
      3   0.432453D+01 -0.622516D+00  0.641354D+00 -0.436603D+01 -0.532270D+00
               171 
      1   0.267509D+01
      2   0.185676D+01
      3  -0.777431D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.101317D+02  0.900917D+01 -0.818760D+01  0.570626D+01 -0.134119D+02
      2  -0.136532D+02 -0.163612D+01  0.349682D+01  0.152877D+00  0.193075D+02
      3   0.352150D+01 -0.737305D+01  0.469078D+01 -0.585914D+01 -0.589568D+01
      4   0.693573D+01 -0.191684D+02  0.152066D+02 -0.167649D+02 -0.149957D+01
      5  -0.765185D+01  0.778696D+01 -0.482321D+01  0.537559D+01 -0.186759D+01
      6   0.187375D+02 -0.248251D+01  0.109200D+01 -0.216582D+01  0.312914D+01
                 6             7             8             9            10 
      1   0.110826D+01 -0.901926D+01  0.202481D+01  0.702654D+01 -0.148520D+02
      2   0.824695D+00  0.278443D+01  0.129935D+01 -0.104669D+02  0.105029D+02
      3  -0.193295D+01  0.623483D+01 -0.332416D+01  0.344032D+01  0.434910D+01
      4  -0.242896D+01  0.141650D+02 -0.427182D+01  0.860246D+01 -0.106868D+02
      5   0.639144D+01 -0.575632D+01  0.838006D+01  0.959869D+01  0.950061D+01
      6  -0.119594D+02  0.204384D+01 -0.167941D+02 -0.171135D+02 -0.311757D+01
                11            12            13            14            15 
      1  -0.114392D+02  0.725801D+01 -0.137521D+02  0.140040D+02  0.216343D+01
      2   0.555652D+01 -0.558665D+01  0.774054D+01 -0.146078D+02  0.850523D+00
      3   0.588266D+01 -0.167136D+01  0.601155D+01  0.603758D+00 -0.301395D+01
      4   0.670110D+01 -0.770872D+00  0.781009D+01  0.803669D+01 -0.902467D-01
      5  -0.223911D+00  0.953085D+00 -0.441029D+00  0.229612D+00 -0.702976D+01
      6   0.833698D+00 -0.864776D+00  0.102851D+01 -0.198412D+00 -0.235953D+00
                16            17            18            19            20 
      1   0.128931D+02  0.157029D+01  0.666408D+01 -0.142022D+02 -0.615618D+01
      2  -0.588783D+01  0.303374D+01  0.631654D+01  0.123752D+02  0.695433D+01
      3  -0.700526D+01 -0.460403D+01 -0.129806D+02  0.182695D+01 -0.798150D+00
      4  -0.151259D+01 -0.100919D+00 -0.683371D+01 -0.239775D+01  0.863326D+00
      5   0.749866D+01 -0.666335D+01 -0.183520D+02 -0.379871D+01 -0.740185D+00
      6  -0.102100D+01  0.532676D+01 -0.163538D+01 -0.434596D+00 -0.196871D+01
                21            22            23            24            25 
      1  -0.142236D+01  0.459284D+01  0.676082D+01  0.130375D+01 -0.373585D+01
      2  -0.419838D+00 -0.531488D+01 -0.176934D+02  0.205446D+01 -0.102226D+01
      3   0.184219D+01  0.722041D+00  0.109326D+02 -0.335821D+01  0.475811D+01
      4   0.124120D+00 -0.127332D+02 -0.503556D+01 -0.190544D+00  0.367571D+01
      5   0.150711D+01  0.773764D+00 -0.542357D+00  0.183451D+01  0.749422D+00
      6   0.416769D+00  0.438318D+00  0.772037D+00 -0.205533D+01  0.161931D+01
                26            27            28            29            30 
      1   0.526001D+01  0.529341D+01  0.168619D+01  0.590772D+01 -0.895840D+00
      2  -0.375654D+01  0.954321D+01  0.541532D+01 -0.232763D+01 -0.442216D+01
      3  -0.150347D+01 -0.148366D+02 -0.710151D+01 -0.358008D+01  0.531800D+01
      4  -0.185578D+01  0.110945D+01  0.641288D+01 -0.164508D+01 -0.633793D+01
      5   0.194965D+01  0.231074D+01  0.589817D+01 -0.488244D+01 -0.171208D+02
      6   0.333076D+01  0.522368D+01 -0.299431D+01  0.626623D+00 -0.338832D+01
                31            32            33            34            35 
      1   0.105223D+02  0.245587D+01 -0.281422D+01  0.123053D+02  0.278763D+00
      2  -0.517629D+01  0.332560D+00  0.493457D+01 -0.726461D+01 -0.593895D+01
      3  -0.534604D+01 -0.278843D+01 -0.212034D+01 -0.504074D+01  0.566019D+01
      4   0.533206D+01 -0.337748D+01 -0.108084D+01 -0.987267D+01  0.453405D+01
      5  -0.119075D+02 -0.363583D-01 -0.544027D+01 -0.235849D+02 -0.232343D+01
      6  -0.154449D+01 -0.734265D+01  0.802329D+00 -0.349643D+01 -0.700659D+01
                36            37            38            39            40 
      1  -0.586591D+01 -0.205673D+02 -0.108528D+02  0.700947D+01 -0.137361D+02
      2   0.111020D+02  0.374594D+01  0.356786D+01 -0.503481D+01  0.481782D+01
      3  -0.523609D+01  0.168214D+02  0.728496D+01 -0.197466D+01  0.891828D+01
      4   0.316505D+00 -0.161745D+02 -0.481868D+01  0.345831D+01 -0.216742D+00
      5   0.165700D+02  0.705931D+01  0.968407D+00  0.102456D+02  0.475297D+01
      6  -0.278985D+01  0.204056D+01  0.236628D+01  0.179744D+01  0.301344D+01
                41            42            43            44            45 
      1  -0.129772D+02 -0.241650D+01  0.135741D+02  0.121118D+01 -0.303635D+01
      2   0.128186D+02  0.130797D+01 -0.988558D+01  0.165577D+00 -0.921911D+01
      3   0.158591D+00  0.110853D+01 -0.368854D+01 -0.137676D+01  0.122555D+02
      4   0.695752D+01  0.779351D+01  0.114255D+02  0.100662D+02  0.524412D+01
      5   0.717716D+01  0.589610D+01  0.181743D+02  0.845088D+01  0.217583D+02
      6   0.749690D+01  0.830239D+01  0.456762D+01  0.109243D+02  0.867369D+01
                46            47            48            49            50 
      1   0.131264D+01  0.208302D+02 -0.210363D+02  0.236088D+02 -0.767861D+01
      2  -0.142471D+01 -0.129530D+02  0.103462D+02 -0.161656D+02 -0.859435D+00
      3   0.112067D+00 -0.787721D+01  0.106901D+02 -0.744320D+01  0.853805D+01
      4   0.205297D+02 -0.496633D+01  0.197388D+01 -0.100654D+02 -0.267444D+02
      5  -0.230578D+02  0.257958D+01 -0.105366D+02  0.366376D+01 -0.429301D+01
      6   0.808794D-01  0.118352D+00  0.856657D+00 -0.725983D+00 -0.392568D+00
                51            52            53            54            55 
      1   0.542504D+01 -0.279721D+02  0.393890D+01 -0.871888D+01  0.158710D+02
      2  -0.656426D+00  0.121037D+02 -0.146870D+00  0.129849D+02 -0.133833D+02
      3  -0.476861D+01  0.158684D+02 -0.379203D+01 -0.426604D+01 -0.248768D+01
      4  -0.248872D+01  0.315079D+01 -0.141265D+01  0.132405D+02  0.712495D+01
      5   0.151146D+02 -0.178093D+02  0.139318D+02  0.266799D+02 -0.911429D+00
      6   0.952345D+00  0.178581D+01 -0.126872D+01 -0.148830D+01  0.630088D+01
                56            57            58            59            60 
      1  -0.594501D+01  0.712160D+00 -0.687943D+01 -0.152431D+02 -0.597167D+00
      2   0.980864D+01 -0.146134D+01  0.134482D+02  0.297397D+02  0.238826D+01
      3  -0.386363D+01  0.749182D+00 -0.656879D+01 -0.144966D+02 -0.179109D+01
      4  -0.585875D+01  0.483476D+01  0.480631D+01  0.162285D+02 -0.324098D+01
      5   0.214291D+01  0.120608D+01  0.189050D+01 -0.202701D+01  0.206023D+01
      6  -0.452768D+01  0.128185D+02 -0.524650D+01  0.393272D+01 -0.967323D+00
                61            62            63            64            65 
      1   0.320563D+01  0.102295D+01  0.411347D+01  0.258750D+02 -0.141352D+01
      2  -0.281893D+01  0.285314D+01 -0.624553D+01 -0.193877D+02 -0.132767D+01
      3  -0.386709D+00 -0.387609D+01  0.213206D+01 -0.648726D+01  0.274120D+01
      4   0.525047D+01 -0.305514D+01  0.115770D+02 -0.727536D+01  0.105611D+02
      5   0.339859D+01  0.416177D+01 -0.168294D+01 -0.207297D+02  0.485434D+01
      6   0.140697D+02 -0.451980D+01 -0.128362D+02  0.160377D+01 -0.335578D+01
                66            67            68            69            70 
      1  -0.917613D+01 -0.693198D+01 -0.155259D+01  0.981299D+00 -0.152258D+02
      2   0.118267D+02  0.496354D+01  0.386257D+01 -0.116757D+01  0.158351D+02
      3  -0.265057D+01  0.196844D+01 -0.230998D+01  0.186269D+00 -0.609287D+00
      4   0.554938D+01  0.102824D+02 -0.545404D+01 -0.841221D+01  0.453698D+01
      5   0.231354D+02  0.484982D+01 -0.968063D+01 -0.233861D+01  0.273259D+02
      6  -0.226224D+00 -0.330701D+01  0.259291D+01  0.815655D+01 -0.149074D+01
                71            72            73            74            75 
      1  -0.333588D+01 -0.256177D+01  0.103840D+01  0.146967D+00  0.109851D+01
      2   0.526919D+01 -0.213158D+02 -0.395978D+01  0.227978D-01  0.103251D+01
      3  -0.193331D+01  0.238776D+02  0.292138D+01 -0.169765D+00 -0.213102D+01
      4  -0.998162D+01 -0.678725D+01  0.351137D+00  0.158082D+01 -0.613147D+00
      5  -0.366232D+01 -0.399722D+02 -0.127376D+01  0.154182D+00  0.556686D+01
      6   0.908641D+01  0.616267D+00 -0.917830D+00 -0.759168D+00  0.462762D+00
                76            77            78            79            80 
      1   0.315627D+00 -0.372545D+01 -0.916608D+00  0.120551D+00  0.738508D+00
      2   0.113725D+00  0.111873D+01 -0.195637D+01  0.148027D+01 -0.279183D+01
      3  -0.429353D+00  0.260672D+01  0.287297D+01 -0.160082D+01  0.205332D+01
      4   0.179217D+01 -0.246488D+00 -0.352681D+00 -0.783401D+00 -0.515839D-01
      5   0.156875D+00 -0.730467D+00 -0.845076D+00  0.416903D+01  0.291380D-01
      6  -0.261480D+00  0.452122D+00  0.516385D+01  0.695624D-01  0.387349D+01
                81            82            83            84            85 
      1  -0.153738D+02  0.217629D+01  0.222435D+01  0.230096D+01  0.284955D+01
      2  -0.144307D+02 -0.423538D+01 -0.893572D+00 -0.364369D+00 -0.176133D+01
      3   0.298045D+02  0.205909D+01 -0.133078D+01 -0.193659D+01 -0.108822D+01
      4   0.563683D+00  0.213076D+01  0.804902D+00  0.474315D+00  0.120801D+01
      5  -0.187634D+01  0.921106D+00  0.653684D+00  0.524725D+01  0.361046D+00
      6  -0.558335D+01  0.731529D+00 -0.311447D+00 -0.469023D+00  0.191685D+00
                86            87            88            89            90 
      1  -0.528529D+01 -0.259073D+01  0.361431D+01 -0.153440D+01 -0.156176D+02
      2   0.192499D+01 -0.136310D+01 -0.222486D+01 -0.311355D+01 -0.144447D+02
      3   0.336030D+01  0.395383D+01 -0.138945D+01  0.464796D+01  0.300623D+02
      4   0.539954D+00  0.280093D+01  0.677422D+00  0.356829D+01  0.348206D+01
      5   0.311885D+01  0.356921D+01  0.354694D+01  0.310049D+01  0.176149D+02
      6   0.300665D+01  0.709657D+01  0.221528D+00  0.442629D+01  0.288315D+01
                91            92            93            94            95 
      1   0.446865D+02  0.168645D+02  0.109656D+01  0.101156D+02  0.701143D+01
      2  -0.190459D+02 -0.544167D+01 -0.159360D+01 -0.155616D+01  0.833275D+00
      3  -0.256406D+02 -0.114228D+02  0.497038D+00 -0.855948D+01 -0.784470D+01
      4   0.263092D+02  0.165854D+02  0.178198D+01  0.154930D+02  0.127369D+02
      5   0.830314D+01  0.386718D+01  0.636725D+01  0.248178D+01  0.248692D+01
      6   0.177917D+01  0.186520D+01  0.180015D+01  0.153572D+01  0.131929D+01
                96            97            98            99           100 
      1   0.668019D+00 -0.116740D+02 -0.498353D+01  0.272806D+01 -0.269290D+01
      2  -0.882513D+00  0.361016D+01  0.642984D+00 -0.116393D+01  0.739323D+01
      3   0.214494D+00  0.806383D+01  0.434054D+01 -0.156413D+01 -0.470033D+01
      4   0.732120D+00 -0.801042D+01 -0.516425D+01  0.295899D+01 -0.100374D+02
      5   0.280446D+01  0.458842D+01  0.207662D+01 -0.221899D+00  0.364220D+01
      6   0.195957D+01  0.240596D+01  0.187089D+01 -0.457935D+00 -0.746247D+01
               101           102           103           104           105 
      1   0.779688D+01 -0.309082D+01  0.507705D+01 -0.122117D+02  0.440271D+01
      2  -0.138093D+02  0.471353D+01 -0.990807D+01  0.208490D+02 -0.693021D+01
      3   0.601241D+01 -0.162271D+01  0.483103D+01 -0.863730D+01  0.252750D+01
      4   0.145594D+02 -0.677289D+01  0.125878D+02 -0.124251D+02  0.580553D+01
      5  -0.377976D+01  0.432594D+01 -0.214145D+01  0.339593D+01 -0.195508D+01
      6   0.943660D+01 -0.861337D+01  0.730704D+01 -0.105050D+02  0.899715D+01
               106           107           108           109           110 
      1  -0.422248D+01  0.808031D+01 -0.663370D+01 -0.174847D+01  0.257807D+01
      2   0.512777D+01 -0.102969D+02  0.516081D+01  0.219513D+01 -0.377991D+01
      3  -0.905288D+00  0.221656D+01  0.147290D+01 -0.446658D+00  0.120184D+01
      4  -0.907025D+01  0.849496D+01 -0.736702D+01 -0.103630D+01  0.461108D+01
      5   0.423626D+01 -0.351929D+01  0.396739D+01 -0.105018D+01  0.341257D+00
      6  -0.888048D+01  0.126233D+02 -0.115081D+02  0.101279D+01 -0.346419D+01
               111           112           113           114           115 
      1   0.165338D+01  0.841356D+00 -0.504601D+01 -0.280241D+01  0.104158D+01
      2  -0.219371D+01 -0.161270D+01  0.717618D+01  0.390718D+01 -0.150139D+01
      3   0.540331D+00  0.771341D+00 -0.213017D+01 -0.110477D+01  0.459809D+00
      4   0.105931D+01  0.413963D+01 -0.225964D+01 -0.259167D+01  0.479703D+01
      5   0.204575D+01  0.201024D+00 -0.120324D+01 -0.953236D+00  0.160556D+01
      6  -0.484693D+01 -0.298621D+01  0.466243D+01  0.805110D+01 -0.516940D+01
               116           117           118           119           120 
      1  -0.915893D+01 -0.940307D+01  0.530838D+02 -0.109320D+02  0.161639D+02
      2   0.105696D+02  0.405013D+01 -0.284412D+02  0.532423D+01 -0.924880D+01
      3  -0.141066D+01  0.535294D+01 -0.246426D+02  0.560777D+01 -0.691509D+01
      4  -0.357128D+01 -0.407790D+01 -0.113964D+02  0.109211D+02 -0.366491D+01
      5  -0.127283D+01 -0.198502D+01  0.188664D+02 -0.416893D+01  0.152076D+02
      6   0.114909D+02  0.230793D+02 -0.304341D+00  0.491185D+00 -0.120191D+00
               121           122           123           124           125 
      1  -0.207530D+02  0.797259D+01 -0.462379D+01  0.266559D+02 -0.402164D+01
      2   0.107860D+02 -0.195511D+01  0.217730D+01 -0.157405D+02  0.208530D+01
      3   0.996699D+01 -0.601748D+01  0.244648D+01 -0.109154D+02  0.193634D+01
      4   0.130645D+02 -0.703562D+01  0.508270D+01 -0.540898D+01  0.729387D+01
      5  -0.656973D+01  0.527657D+01 -0.812244D+01  0.190005D+02 -0.596197D+01
      6   0.128002D+01 -0.159021D+01  0.197057D+01 -0.932273D+00  0.228881D+01
               126           127           128           129           130 
      1   0.112314D+02  0.696086D+01 -0.300787D+01 -0.455327D+01 -0.686682D+01
      2  -0.101411D+02 -0.605247D+01  0.209870D+01  0.398509D+01  0.456194D+01
      3  -0.109028D+01 -0.908392D+00  0.909169D+00  0.568179D+00  0.230488D+01
      4  -0.534007D+01 -0.276148D+01  0.273526D+01  0.999455D+00  0.469487D+01
      5   0.130178D+02 -0.552528D+01  0.133294D+01  0.106731D+02  0.365155D+01
      6  -0.112718D+01  0.847825D+00 -0.371665D-01  0.153307D+00 -0.168414D+01
               131           132           133           134           135 
      1   0.222410D+00 -0.383024D+00 -0.113412D+02 -0.917571D+00  0.102788D+01
      2  -0.185743D+00 -0.209500D+01  0.106015D+02 -0.106503D+01 -0.172890D+02
      3  -0.366670D-01  0.247803D+01  0.739709D+00  0.198260D+01  0.162611D+02
      4  -0.181824D+01 -0.569155D+01  0.135574D+01 -0.834128D+01 -0.636117D+01
      5  -0.517946D+01 -0.920438D+01  0.190778D+02 -0.608619D+01 -0.398844D+02
      6   0.257662D+01  0.447834D+01 -0.114410D+01  0.491851D+01  0.209563D+01
               136           137           138           139           140 
      1   0.499651D+01  0.343601D+01  0.193967D+01  0.130841D+02  0.221478D+01
      2  -0.222474D+00  0.120260D+01 -0.107355D+01 -0.374910D+01  0.121619D+02
      3  -0.477403D+01 -0.463861D+01 -0.866115D+00 -0.933504D+01 -0.143766D+02
      4   0.638535D+01  0.114629D+02 -0.329684D+00  0.165713D+02  0.404295D+02
      5   0.155488D+01 -0.488621D+00  0.276174D+01 -0.103805D+01  0.121606D+01
      6  -0.294656D+00 -0.649841D+00  0.891507D+00  0.153834D+00 -0.996097D+00
               141           142           143           144           145 
      1  -0.756794D+00  0.335957D+01 -0.561140D+00  0.954596D+00 -0.739073D+01
      2   0.738952D+00 -0.150130D+01  0.427358D+00 -0.116262D+01  0.771196D+01
      3   0.178424D-01 -0.185827D+01  0.133782D+00  0.208026D+00 -0.321230D+00
      4   0.188960D+00  0.100899D+00  0.887500D+00  0.281726D+01  0.154198D+02
      5   0.602132D+01  0.504343D+01  0.341027D+01 -0.221443D+01 -0.272327D+01
      6   0.412222D+01  0.100144D+01  0.484198D+01  0.654206D+00 -0.874617D+01
               146           147           148           149           150 
      1  -0.124271D+02  0.601432D+01 -0.718555D+01 -0.818095D+01  0.381793D+01
      2   0.148253D+02 -0.359256D+01  0.876312D+01  0.114428D+02 -0.412284D+01
      3  -0.239823D+01 -0.242176D+01 -0.157757D+01 -0.326181D+01  0.304907D+00
      4   0.753821D+01 -0.596346D+01  0.831921D+01  0.517451D+01 -0.228692D+01
      5  -0.203789D+01  0.247884D+01 -0.123961D+01 -0.933450D+00 -0.769802D-01
      6  -0.670902D+01  0.800539D+01 -0.466972D+01 -0.557337D+01  0.654664D+01
               151           152           153           154           155 
      1   0.597116D+01  0.633586D+01 -0.710508D+01 -0.905226D+00 -0.195383D+01
      2  -0.303818D+01 -0.671175D+01  0.339763D+01  0.137338D+01  0.652745D+00
      3  -0.293299D+01  0.375893D+00  0.370744D+01 -0.468153D+00  0.130109D+01
      4  -0.686720D+01 -0.147617D+01  0.244798D+01 -0.160770D+01  0.530591D+01
      5   0.335448D+01 -0.540949D+00 -0.213448D+01 -0.118328D+01  0.518870D+00
      6   0.587394D+01  0.850676D+01 -0.575773D+01  0.147501D+01  0.720181D-01
               156           157           158           159           160 
      1  -0.125144D+01 -0.980356D+00 -0.610967D+01 -0.499068D+01 -0.224690D+01
      2   0.798551D+00 -0.104284D+00  0.839057D+01  0.677166D+01  0.103164D+01
      3   0.452891D+00  0.108464D+01 -0.228090D+01 -0.178099D+01  0.121526D+01
      4   0.169720D+01  0.440678D+01 -0.334166D+01 -0.232734D+01  0.467501D+01
      5   0.381511D+01 -0.187660D+00 -0.254865D+01 -0.298289D+01  0.445059D+01
      6  -0.457975D+00 -0.320631D-02  0.775213D+01  0.118604D+02 -0.119776D+01
               161           162           163           164           165 
      1  -0.100825D+02 -0.110477D+02  0.122017D+02 -0.132015D+01  0.252173D+01
      2   0.127431D+02  0.412621D+01  0.262170D+00 -0.951801D+01 -0.285460D+00
      3  -0.266061D+01  0.692146D+01 -0.124639D+02  0.108382D+02 -0.223627D+01
      4  -0.654831D+01 -0.594423D+01 -0.257163D+02  0.232789D+02 -0.108848D+02
      5  -0.586937D+01 -0.125182D+02  0.107756D+02 -0.705690D+01  0.913628D+01
      6   0.158188D+02  0.272909D+02 -0.103379D+02  0.845555D+01 -0.930770D+01
               166           167           168           169           170 
      1  -0.130131D+01 -0.325429D+01  0.180704D+01  0.361889D+01  0.291953D+01
      2  -0.665327D+01  0.134127D+02 -0.435267D+01 -0.766570D+00 -0.648237D+01
      3   0.795458D+01 -0.101584D+02  0.254563D+01 -0.285231D+01  0.356284D+01
      4   0.175185D+02 -0.183562D+02  0.739509D+01 -0.122851D+02  0.109860D+02
      5  -0.463368D+01  0.614111D+01 -0.474310D+01  0.917703D+01 -0.708140D+01
      6   0.626218D+01 -0.927299D+01  0.895032D+01 -0.781687D+01  0.113134D+02
               171 
      1  -0.180381D+01
      2   0.106964D+01
      3   0.734170D+00
      4  -0.964864D+01
      5   0.794043D+01
      6  -0.839758D+01
 Leave Link  716 at Sun Sep 26 20:19:16 2021, MaxMem=  6442450944 cpu:               0.6 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.882463D+02  0.250961D+01 -0.138382D+01
      2   0.250961D+01  0.810521D+02  0.182166D+01
      3  -0.138382D+01  0.182166D+01  0.721924D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.147718D+01 -0.282731D+00  0.154221D+01
      2   0.300959D+01 -0.493144D+01  0.236303D+02
      3   0.645401D+01 -0.364141D+02  0.564201D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.782515D+02 -0.184600D+02  0.701611D+01
      2  -0.345241D+02  0.131622D+02 -0.355912D+01
      3  -0.437273D+02  0.529774D+01 -0.345699D+01
      4  -0.241712D+02  0.613038D+02 -0.169042D+02
      5   0.683389D+01 -0.176928D+02  0.336973D+02
      6  -0.550753D+01 -0.213603D+01 -0.100174D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.969863D+00  0.444268D+01 -0.381366D+01  0.365650D+01 -0.113745D+01
      2   0.444268D+01 -0.138460D+01  0.502685D+00 -0.113745D+01 -0.377057D+01
      3  -0.381366D+01  0.502685D+00 -0.249648D+00  0.399431D+00 -0.288449D+00
                 6             7             8             9            10 
      1   0.399431D+00 -0.409131D+01  0.437693D+00 -0.387089D+00  0.159453D+00
      2  -0.288449D+00  0.437693D+00 -0.771441D+00  0.358584D+01 -0.431530D+01
      3   0.272561D+01 -0.387089D+00  0.358584D+01  0.455183D+01  0.236584D+01
                11            12            13            14            15 
      1  -0.431530D+01  0.236584D+01 -0.631678D+01  0.163059D+01 -0.429882D-01
      2   0.195760D+01 -0.749236D-01  0.163059D+01  0.456025D+01 -0.177204D+00
      3  -0.749236D-01  0.762113D+00 -0.429882D-01 -0.177204D+00 -0.234640D+01
                16            17            18            19            20 
      1   0.504311D+01 -0.793323D-01  0.113667D+01 -0.125213D+01  0.554516D+01
      2  -0.793323D-01  0.620273D+00 -0.280633D+01  0.554516D+01 -0.147826D+00
      3   0.113667D+01 -0.280633D+01 -0.762479D+01 -0.757149D+00  0.162149D+00
                21            22            23            24            25 
      1  -0.757149D+00  0.391840D+01 -0.113957D+01  0.319466D+00 -0.441636D+01
      2   0.162149D+00 -0.113957D+01 -0.292250D+01 -0.147106D-01 -0.305970D+00
      3  -0.712510D+00  0.319466D+00 -0.147106D-01  0.140809D+01 -0.849174D+00
                26            27            28            29            30 
      1  -0.305970D+00 -0.849174D+00 -0.916648D+00 -0.231669D+01 -0.405914D+00
      2  -0.199974D+01  0.162486D+01 -0.231669D+01  0.113069D+01  0.903006D+00
      3   0.162486D+01  0.625840D+01 -0.405914D+00  0.903006D+00  0.179733D+01
                31            32            33            34            35 
      1  -0.219284D+01 -0.221557D+00  0.131252D+01 -0.317057D+01  0.601078D+00
      2  -0.221557D+00 -0.117228D+01  0.423404D+00  0.601078D+00 -0.188029D-01
      3   0.131252D+01  0.423404D+00 -0.272382D+00  0.280522D+01 -0.396456D-01
                36            37            38            39            40 
      1   0.280522D+01  0.589404D+01  0.236038D+01 -0.170617D+01  0.198994D+01
      2  -0.396456D-01  0.236038D+01  0.151215D+01 -0.268155D+00  0.106593D+01
      3  -0.404854D+01 -0.170617D+01 -0.268155D+00 -0.179124D+00 -0.713745D+00
                41            42            43            44            45 
      1   0.106593D+01 -0.713745D+00 -0.368274D+01 -0.156662D+01 -0.207878D+01
      2  -0.154215D+01 -0.175524D+01 -0.156662D+01 -0.273260D+01 -0.156701D+01
      3  -0.175524D+01 -0.587502D+00 -0.207878D+01 -0.156701D+01 -0.402194D+01
                46            47            48            49            50 
      1   0.387064D+00  0.347994D+01 -0.329985D+01  0.429786D+01 -0.181269D+01
      2   0.347994D+01 -0.850092D+00  0.323706D+00 -0.181269D+01 -0.561647D+01
      3  -0.329985D+01  0.323706D+00 -0.173605D+01  0.522265D+00 -0.413431D+00
                51            52            53            54            55 
      1   0.522265D+00 -0.533713D+01  0.255577D+00 -0.273938D+01  0.223283D+01
      2  -0.413431D+00  0.255577D+00 -0.617025D+00  0.245177D+01 -0.235076D+01
      3   0.265014D+01 -0.273938D+01  0.245177D+01  0.528560D+01  0.117891D+01
                56            57            58            59            60 
      1  -0.235076D+01  0.117891D+01 -0.848698D+00  0.250322D+01 -0.909347D+00
      2   0.281544D+01 -0.533053D+00  0.250322D+01  0.393351D+01  0.555992D+00
      3  -0.533053D+00  0.242076D+01 -0.909347D+00  0.555992D+00 -0.134355D+01
                61            62            63            64            65 
      1   0.184815D+01 -0.121987D+01  0.261733D+01 -0.492011D+01  0.722862D+00
      2  -0.121987D+01  0.726815D+00 -0.155308D+01  0.722862D+00 -0.175101D+01
      3   0.261733D+01 -0.155308D+01 -0.305227D+01  0.334286D+01 -0.725671D+00
                66            67            68            69            70 
      1   0.334286D+01  0.170533D+01 -0.124443D+01 -0.704836D+00  0.613803D+01
      2  -0.725671D+00 -0.124443D+01  0.213136D+01  0.194576D+01  0.173002D+00
      3  -0.269203D+01 -0.704836D+00  0.194576D+01  0.732088D+00 -0.354999D+01
                71            72            73            74            75 
      1   0.173002D+00 -0.354999D+01  0.699797D+00 -0.657106D+00 -0.100428D+01
      2   0.332953D+01  0.737280D+00 -0.657106D+00  0.356714D+00  0.153227D-02
      3   0.737280D+00  0.875699D+01 -0.100428D+01  0.153227D-02  0.962332D+00
                76            77            78            79            80 
      1  -0.902309D+00  0.217811D+00 -0.286972D-01 -0.129070D+01  0.133874D+00
      2   0.217811D+00  0.111175D+00 -0.101230D+01  0.133874D+00 -0.136705D+01
      3  -0.286972D-01 -0.101230D+01 -0.779339D+00  0.361650D+00 -0.261910D+00
                81            82            83            84            85 
      1   0.361650D+00 -0.412305D+00  0.932454D+00  0.684051D+00  0.115236D+01
      2  -0.261910D+00  0.932454D+00 -0.418881D+00 -0.640703D-03 -0.237118D+00
      3  -0.727717D+01  0.684051D+00 -0.640703D-03 -0.263293D+00  0.456795D-01
                86            87            88            89            90 
      1  -0.237118D+00  0.456795D-01  0.131209D+01 -0.274562D-01  0.144759D-01
      2   0.242571D+00  0.128393D+01 -0.274562D-01  0.193975D+01  0.124998D+01
      3   0.128393D+01  0.150557D+01  0.144759D-01  0.124998D+01  0.770237D+01
                91            92            93            94            95 
      1  -0.877963D+01 -0.395346D+01 -0.605393D+00 -0.303219D+01 -0.222796D+01
      2  -0.395346D+01 -0.291657D+01 -0.384029D+00 -0.222796D+01 -0.217356D+01
      3  -0.605393D+00 -0.384029D+00 -0.130105D+01 -0.129763D+00 -0.340638D+00
                96            97            98            99           100 
      1  -0.129763D+00  0.242891D+01  0.118158D+01 -0.749295D+00 -0.194668D+01
      2  -0.340638D+00  0.118158D+01  0.719434D+00 -0.373625D+00  0.254171D+01
      3  -0.622292D+00 -0.749295D+00 -0.373625D+00 -0.321114D-01 -0.128221D+01
               101           102           103           104           105 
      1   0.254171D+01 -0.128221D+01  0.220450D+01 -0.232038D+01  0.112919D+01
      2  -0.323866D+01  0.143673D+01 -0.232038D+01  0.461576D+01 -0.155762D+01
      3   0.143673D+01 -0.139684D+01  0.112919D+01 -0.155762D+01  0.138747D+01
               106           107           108           109           110 
      1  -0.224365D+01  0.177971D+01 -0.160763D+01 -0.263654D+00  0.717476D+00
      2   0.177971D+01 -0.324758D+01  0.204261D+01  0.717476D+00 -0.831313D+00
      3  -0.160763D+01  0.204261D+01 -0.217588D+01  0.286441D+00 -0.564432D+00
               111           112           113           114           115 
      1   0.286441D+00  0.708071D+00 -0.362986D+00 -0.534734D+00  0.145168D+01
      2  -0.564432D+00 -0.362986D+00  0.154481D+01  0.870073D+00 -0.476712D+00
      3  -0.872638D+00 -0.534734D+00  0.870073D+00  0.123564D+01 -0.986232D+00
               116           117           118           119           120 
      1  -0.476712D+00 -0.986232D+00  0.710824D+01 -0.169995D+01  0.235118D+01
      2   0.294574D+01  0.207685D+01 -0.169995D+01  0.131082D+01 -0.554057D+00
      3   0.207685D+01  0.488845D+01  0.235118D+01 -0.554057D+00  0.186814D+01
               121           122           123           124           125 
      1  -0.340480D+01  0.170212D+01 -0.762485D+00  0.458012D+01 -0.744330D+00
      2   0.170212D+01 -0.812743D+00  0.741639D+00 -0.744330D+00  0.110619D+01
      3  -0.762485D+00  0.741639D+00 -0.113130D+01  0.232128D+01 -0.878467D+00
               126           127           128           129           130 
      1   0.232128D+01  0.105878D+01 -0.460950D+00 -0.809228D+00 -0.129293D+01
      2  -0.878467D+00 -0.460950D+00  0.241779D+00  0.109184D+00  0.609787D+00
      3   0.159754D+01 -0.809228D+00  0.109184D+00  0.903047D+00  0.477908D+00
               131           132           133           134           135 
      1   0.609787D+00  0.477908D+00 -0.239565D+01  0.182888D+00  0.248327D+01
      2  -0.290995D+00 -0.100392D+01  0.182888D+00 -0.148052D+01 -0.987306D+00
      3  -0.100392D+01 -0.166071D+01  0.248327D+01 -0.987306D+00 -0.705689D+01
               136           137           138           139           140 
      1   0.874922D+00  0.939933D+00  0.288662D+00  0.258491D+01  0.214946D+01
      2   0.939933D+00  0.138098D+01 -0.444339D-01  0.214946D+01  0.761214D+01
      3   0.288662D+00 -0.444339D-01  0.339589D+00 -0.150231D+00 -0.405304D-01
               141           142           143           144           145 
      1  -0.150231D+00  0.586555D+00  0.358096D-01  0.685240D+00 -0.523153D+01
      2  -0.405304D-01  0.358096D-01  0.231884D+00  0.611073D+00 -0.201068D+01
      3   0.921160D+00  0.685240D+00  0.611073D+00 -0.399899D+00  0.167608D+01
               146           147           148           149           150 
      1  -0.201068D+01  0.167608D+01 -0.146674D+01 -0.160110D+01  0.666578D+00
      2  -0.294714D+01  0.951122D+00 -0.160110D+01 -0.176897D+01  0.813205D+00
      3   0.951122D+00 -0.144793D+01  0.666578D+00  0.813205D+00 -0.965016D+00
               151           152           153           154           155 
      1   0.200902D+01  0.814352D+00 -0.117985D+01 -0.940094D-01 -0.837123D+00
      2   0.814352D+00  0.161676D+01 -0.136664D+01 -0.837123D+00  0.218739D+00
      3  -0.117985D+01 -0.136664D+01  0.111449D+01 -0.429654D+00  0.213215D-01
               156           157           158           159           160 
      1  -0.429654D+00 -0.601440D+00  0.153198D+00 -0.242430D-01 -0.106714D+01
      2   0.213215D-01  0.153198D+00 -0.152053D+01 -0.135055D+01  0.132458D+00
      3   0.160997D+00 -0.242430D-01 -0.135055D+01 -0.157259D+01  0.219397D+00
               161           162           163           164           165 
      1   0.132458D+00  0.219397D+00  0.443171D+01 -0.308058D+01  0.193948D+01
      2  -0.322986D+01 -0.271363D+01 -0.308058D+01  0.356118D+01 -0.126204D+01
      3  -0.271363D+01 -0.598147D+01  0.193948D+01 -0.126204D+01  0.163682D+01
               166           167           168           169           170 
      1  -0.215916D+01  0.227312D+01 -0.871968D+00  0.229758D+01 -0.130773D+01
      2   0.227312D+01 -0.316082D+01  0.132060D+01 -0.130773D+01  0.222825D+01
      3  -0.871968D+00  0.132060D+01 -0.128468D+01  0.148290D+01 -0.183262D+01
               171 
      1   0.148290D+01
      2  -0.183262D+01
      3   0.151528D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.708601D+01  0.519836D+00 -0.942229D-01  0.141469D+00 -0.380489D+01
      2  -0.452412D+01 -0.101816D+00  0.218613D+01 -0.184254D+00  0.328522D+00
      3  -0.824457D+01 -0.123281D+02  0.789657D+01 -0.572538D+01  0.673488D+01
                 6             7             8             9            10 
      1   0.435914D+01 -0.704989D+00  0.111105D+02  0.101088D+02 -0.955275D-02
      2   0.280697D+01 -0.128751D+01  0.376427D+01  0.491949D+01  0.377077D+01
      3  -0.539772D+00  0.830756D+01 -0.589040D+00 -0.372957D+01  0.605769D+01
                11            12            13            14            15 
      1   0.137212D+00  0.239238D+00 -0.559828D+00  0.251286D+01 -0.328638D+01
      2  -0.515069D-01  0.318638D+01 -0.100441D+01 -0.276944D+00 -0.302347D+01
      3  -0.404667D+01 -0.610063D+00  0.217076D+01 -0.704258D+01  0.409413D+00
                16            17            18            19            20 
      1   0.177443D+00  0.326725D+01 -0.273938D+01 -0.172095D+01 -0.161366D+01
      2  -0.320894D+01 -0.362696D+01 -0.927044D+01  0.264764D+01 -0.721499D+00
      3   0.162018D+01 -0.560830D+00  0.344532D+01  0.820341D+00 -0.312002D+01
                21            22            23            24            25 
      1  -0.405246D+00 -0.501755D-01  0.396980D+01 -0.100808D+01  0.605786D+00
      2   0.212337D+01  0.292818D+00 -0.250435D+01  0.116173D+01 -0.773485D+01
      3   0.942992D+00  0.106006D+01 -0.357419D+01  0.131480D+01 -0.336088D+01
                26            27            28            29            30 
      1   0.413113D+01 -0.356697D+01  0.328879D+00  0.238681D+01  0.261645D+01
      2  -0.154090D+00  0.267876D+00 -0.616581D+01  0.591219D+00 -0.245756D+01
      3   0.129683D+01 -0.554042D+00 -0.987807D+01  0.483158D+01 -0.147385D+01
                31            32            33            34            35 
      1  -0.290353D+00 -0.616312D+01 -0.608021D+01  0.203614D+01 -0.263969D+01
      2   0.339283D+01  0.212904D+01 -0.194059D+01 -0.322476D+01 -0.935792D+00
      3   0.150594D+02  0.899472D+01 -0.205663D+01 -0.782916D+01 -0.780805D+01
                36            37            38            39            40 
      1   0.499532D+01 -0.232897D+01  0.559542D+00 -0.859725D+00 -0.879968D+00
      2   0.959132D+01  0.661345D+01  0.212802D+01  0.160301D+01 -0.623704D+00
      3  -0.136131D+01  0.236825D+01 -0.582285D+00  0.813311D+00  0.251873D+01
                41            42            43            44            45 
      1   0.186858D+01 -0.218415D+01  0.239676D+01  0.549640D+01 -0.280977D+01
      2   0.330451D+01  0.139360D+01 -0.519542D+01  0.901814D+00  0.789939D+01
      3  -0.499100D+01 -0.261179D+01  0.271572D+01 -0.189742D+01 -0.182097D+01
                46            47            48            49            50 
      1   0.486034D+00  0.692715D+00  0.362944D-01  0.155741D+01  0.214196D+01
      2  -0.106463D+02  0.138464D+01 -0.457881D+01  0.250056D+01 -0.161698D+01
      3  -0.882238D+01  0.211980D+01 -0.194178D+01  0.105906D+02  0.178992D+02
                51            52            53            54            55 
      1  -0.268604D+01  0.105315D+01  0.862600D+00 -0.219640D+01 -0.140654D+01
      2   0.734744D+01 -0.125558D+02  0.671128D+01  0.142537D+02  0.149666D+01
      3   0.588468D+00 -0.358298D+01  0.146863D+01 -0.804254D+01  0.639347D+01
                56            57            58            59            60 
      1   0.287004D+01 -0.740594D+01  0.203749D+01 -0.411037D+01 -0.892469D+00
      2   0.566201D+00  0.427708D+01  0.524155D+00  0.168980D+01  0.268313D+00
      3  -0.111383D+02  0.256790D+01  0.259512D+01  0.667465D+01 -0.223746D+01
                61            62            63            64            65 
      1  -0.725570D+01  0.879955D+01  0.727318D+01 -0.155885D-01 -0.382747D+01
      2  -0.487994D+00  0.324649D+00 -0.894142D+00  0.243739D+00  0.153369D+01
      3   0.327188D+01 -0.276824D+01  0.769431D+01  0.205849D+01 -0.740866D+01
                66            67            68            69            70 
      1  -0.889493D-01 -0.381275D+00  0.146663D+01 -0.915699D+00 -0.113434D+01
      2   0.826051D+01  0.177308D+00 -0.451494D+01 -0.104779D+01 -0.308791D+01
      3  -0.508914D+00 -0.259419D+01  0.420367D+00  0.428037D+01  0.440478D+01
                71            72            73            74            75 
      1   0.706663D+01 -0.825987D+00  0.915588D+00 -0.463383D+00  0.873877D-02
      2  -0.192100D+01 -0.161771D+02  0.713241D+00 -0.276261D+00  0.443052D+00
      3   0.784823D+01  0.222385D+01  0.137103D+00 -0.923883D+00 -0.625302D+00
                76            77            78            79            80 
      1  -0.546050D-01  0.778078D+00 -0.696009D-01 -0.303649D+00  0.387800D+01
      2  -0.727755D+00  0.128808D+00 -0.368921D+00 -0.372617D+01  0.143032D+00
      3   0.138405D+01  0.142758D+00 -0.815960D-01  0.632603D-01  0.261768D+00
                81            82            83            84            85 
      1   0.373147D+01  0.107648D+01 -0.648134D+00 -0.204476D-01 -0.273916D+00
      2   0.292774D+00  0.170728D+01 -0.552799D+00  0.193442D+00 -0.138035D+01
      3  -0.344446D+00 -0.126739D+01 -0.711354D+00 -0.113799D+00  0.139387D+01
                86            87            88            89            90 
      1   0.104563D+01 -0.330147D+00 -0.455018D+00  0.431348D+01  0.193442D+01
      2   0.199663D+01  0.180122D+01 -0.406111D+01  0.200856D+01  0.939129D+01
      3  -0.393291D+00 -0.137487D+01  0.296306D+00 -0.209517D+01 -0.142467D+01
                91            92            93            94            95 
      1   0.320697D+01  0.199816D+01 -0.131863D+01  0.189887D+01  0.156920D+01
      2  -0.582251D+01 -0.265378D+01  0.358677D+01 -0.284002D+01 -0.161503D+01
      3   0.458934D-01 -0.443683D+01 -0.701833D+00 -0.996449D+00 -0.312667D+01
                96            97            98            99           100 
      1  -0.556129D+00 -0.103000D+01 -0.212613D+00  0.768574D+00  0.254195D+01
      2   0.162563D+01  0.212499D+01  0.100405D+01 -0.165446D+01 -0.187112D+01
      3   0.180778D+00  0.655969D+00  0.153075D+01 -0.285854D+00 -0.609740D+01
               101           102           103           104           105 
      1  -0.257095D+01  0.424496D+01 -0.254081D+01  0.231959D+01 -0.382180D+01
      2   0.372988D+00  0.636978D+00  0.854983D+00 -0.447762D+00 -0.274236D+00
      3   0.465870D+01 -0.325757D+01  0.755696D+01 -0.542460D+01  0.310282D+01
               106           107           108           109           110 
      1   0.365376D+01 -0.276509D+01  0.454388D+01 -0.988845D+00  0.901935D+00
      2  -0.179605D+01  0.364946D+00  0.181593D-01  0.735472D+00  0.519454D-01
      3  -0.655940D+01  0.423679D+01 -0.433130D+01 -0.120659D+01  0.384617D+00
               111           112           113           114           115 
      1   0.314847D+01  0.106879D+01 -0.282791D+01 -0.350076D+01  0.323026D+01
      2  -0.322270D+00  0.241254D+00  0.284123D+00 -0.168126D+00 -0.272631D+01
      3   0.705164D+00  0.173492D+01 -0.143702D+01 -0.145386D+01  0.427024D+01
               116           117           118           119           120 
      1  -0.337854D+01 -0.127415D+02 -0.279719D+00  0.483813D+00  0.336358D+00
      2   0.161531D+00  0.876502D+00  0.709732D+01 -0.203512D+01  0.804255D+01
      3  -0.146661D+01 -0.350968D+01  0.588825D+01 -0.674666D+01  0.253205D+01
               121           122           123           124           125 
      1  -0.165796D+00 -0.497208D+00 -0.707439D+00 -0.145225D+00  0.148960D+01
      2  -0.225081D+01  0.231117D+01 -0.454449D+01  0.560552D+01 -0.286923D+01
      3  -0.407518D+01  0.362745D+01 -0.223279D+01  0.293741D+01 -0.450523D+01
               126           127           128           129           130 
      1   0.145002D+00  0.454481D+00 -0.289378D+00 -0.494980D+00 -0.120515D-01
      2   0.562111D+01 -0.215003D+01  0.156738D+00  0.382843D+01  0.260677D+00
      3   0.320299D+01  0.158024D+01 -0.174285D+01 -0.688059D+00 -0.799636D+00
               131           132           133           134           135 
      1   0.925393D+00 -0.228857D+00 -0.628778D+00  0.370373D+01  0.200344D+01
      2  -0.255498D+01 -0.470817D+01  0.304523D+01 -0.301307D+01 -0.198693D+02
      3   0.102739D+01  0.246000D+01 -0.566795D+00  0.495205D+01  0.398826D+01
               136           137           138           139           140 
      1  -0.256490D+00 -0.426085D+00 -0.603254D+00 -0.234818D+00 -0.169315D+01
      2   0.101100D+01 -0.117583D+00  0.137602D+01 -0.665334D-01  0.354787D+00
      3  -0.212176D+01 -0.367125D+01  0.256478D+00 -0.728792D+00 -0.230205D+02
               141           142           143           144           145 
      1  -0.262146D+01 -0.567445D+00  0.698834D+00  0.218929D+00  0.294959D+01
      2   0.338492D+01  0.459532D+00  0.159355D+01 -0.115179D+01  0.475340D+01
      3  -0.241496D-01  0.382937D+00 -0.526018D+00 -0.956808D+00  0.162945D+02
               146           147           148           149           150 
      1  -0.440171D-01 -0.377886D+01  0.630428D+00  0.939843D+00 -0.267464D+01
      2   0.116706D+01 -0.137332D+00  0.112987D+01  0.145280D+01 -0.353052D+00
      3   0.432123D+01 -0.463526D+01  0.628472D+01  0.426830D+01 -0.240095D+01
               151           152           153           154           155 
      1  -0.259317D+01 -0.767771D+00  0.176362D+01 -0.998357D+00 -0.425662D-01
      2  -0.338610D+01 -0.131501D+01  0.849408D+00 -0.500989D+00  0.177183D+00
      3  -0.575036D+01 -0.230924D+01  0.382370D+01  0.157089D+01  0.441631D+00
               156           157           158           159           160 
      1   0.133132D+00  0.106687D-01 -0.279266D+01 -0.525009D+01  0.350478D+00
      2   0.792886D+00 -0.363929D+00 -0.124087D+01 -0.139643D+01 -0.248920D+01
      3   0.649713D+00  0.237342D+01  0.109580D+01  0.134714D+01  0.308936D+01
               161           162           163           164           165 
      1  -0.311705D+01 -0.143717D+02  0.313104D+01 -0.624424D+00  0.430661D+01
      2  -0.264511D+01 -0.613177D+01  0.199716D+00 -0.709244D+00  0.305827D+01
      3   0.346306D+01  0.276019D+01 -0.683393D+01 -0.431584D+00 -0.271777D+01
               166           167           168           169           170 
      1  -0.121034D+01  0.144167D+01 -0.364410D+01  0.257149D+01 -0.140603D+01
      2   0.673161D-01  0.791658D+00 -0.196455D+01 -0.394566D+00 -0.175058D+01
      3   0.432453D+01 -0.622516D+00  0.641354D+00 -0.436603D+01 -0.532270D+00
               171 
      1   0.267509D+01
      2   0.185676D+01
      3  -0.777431D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.101317D+02  0.900917D+01 -0.818760D+01  0.570626D+01 -0.134119D+02
      2  -0.136532D+02 -0.163612D+01  0.349682D+01  0.152877D+00  0.193075D+02
      3   0.352150D+01 -0.737305D+01  0.469078D+01 -0.585914D+01 -0.589568D+01
      4   0.693573D+01 -0.191684D+02  0.152066D+02 -0.167649D+02 -0.149957D+01
      5  -0.765185D+01  0.778696D+01 -0.482321D+01  0.537559D+01 -0.186759D+01
      6   0.187375D+02 -0.248251D+01  0.109200D+01 -0.216582D+01  0.312914D+01
                 6             7             8             9            10 
      1   0.110826D+01 -0.901926D+01  0.202481D+01  0.702654D+01 -0.148520D+02
      2   0.824695D+00  0.278443D+01  0.129935D+01 -0.104669D+02  0.105029D+02
      3  -0.193295D+01  0.623483D+01 -0.332416D+01  0.344032D+01  0.434910D+01
      4  -0.242896D+01  0.141650D+02 -0.427182D+01  0.860246D+01 -0.106868D+02
      5   0.639144D+01 -0.575632D+01  0.838006D+01  0.959869D+01  0.950061D+01
      6  -0.119594D+02  0.204384D+01 -0.167941D+02 -0.171135D+02 -0.311757D+01
                11            12            13            14            15 
      1  -0.114392D+02  0.725801D+01 -0.137521D+02  0.140040D+02  0.216343D+01
      2   0.555652D+01 -0.558665D+01  0.774054D+01 -0.146078D+02  0.850523D+00
      3   0.588266D+01 -0.167136D+01  0.601155D+01  0.603758D+00 -0.301395D+01
      4   0.670110D+01 -0.770872D+00  0.781009D+01  0.803669D+01 -0.902467D-01
      5  -0.223911D+00  0.953085D+00 -0.441029D+00  0.229612D+00 -0.702976D+01
      6   0.833698D+00 -0.864776D+00  0.102851D+01 -0.198412D+00 -0.235953D+00
                16            17            18            19            20 
      1   0.128931D+02  0.157029D+01  0.666408D+01 -0.142022D+02 -0.615618D+01
      2  -0.588783D+01  0.303374D+01  0.631654D+01  0.123752D+02  0.695433D+01
      3  -0.700526D+01 -0.460403D+01 -0.129806D+02  0.182695D+01 -0.798150D+00
      4  -0.151259D+01 -0.100919D+00 -0.683371D+01 -0.239775D+01  0.863326D+00
      5   0.749866D+01 -0.666335D+01 -0.183520D+02 -0.379871D+01 -0.740185D+00
      6  -0.102100D+01  0.532676D+01 -0.163538D+01 -0.434596D+00 -0.196871D+01
                21            22            23            24            25 
      1  -0.142236D+01  0.459284D+01  0.676082D+01  0.130375D+01 -0.373585D+01
      2  -0.419838D+00 -0.531488D+01 -0.176934D+02  0.205446D+01 -0.102226D+01
      3   0.184219D+01  0.722041D+00  0.109326D+02 -0.335821D+01  0.475811D+01
      4   0.124120D+00 -0.127332D+02 -0.503556D+01 -0.190544D+00  0.367571D+01
      5   0.150711D+01  0.773764D+00 -0.542357D+00  0.183451D+01  0.749422D+00
      6   0.416769D+00  0.438318D+00  0.772037D+00 -0.205533D+01  0.161931D+01
                26            27            28            29            30 
      1   0.526001D+01  0.529341D+01  0.168619D+01  0.590772D+01 -0.895840D+00
      2  -0.375654D+01  0.954321D+01  0.541532D+01 -0.232763D+01 -0.442216D+01
      3  -0.150347D+01 -0.148366D+02 -0.710151D+01 -0.358008D+01  0.531800D+01
      4  -0.185578D+01  0.110945D+01  0.641288D+01 -0.164508D+01 -0.633793D+01
      5   0.194965D+01  0.231074D+01  0.589817D+01 -0.488244D+01 -0.171208D+02
      6   0.333076D+01  0.522368D+01 -0.299431D+01  0.626623D+00 -0.338832D+01
                31            32            33            34            35 
      1   0.105223D+02  0.245587D+01 -0.281422D+01  0.123053D+02  0.278763D+00
      2  -0.517629D+01  0.332560D+00  0.493457D+01 -0.726461D+01 -0.593895D+01
      3  -0.534604D+01 -0.278843D+01 -0.212034D+01 -0.504074D+01  0.566019D+01
      4   0.533206D+01 -0.337748D+01 -0.108084D+01 -0.987267D+01  0.453405D+01
      5  -0.119075D+02 -0.363583D-01 -0.544027D+01 -0.235849D+02 -0.232343D+01
      6  -0.154449D+01 -0.734265D+01  0.802329D+00 -0.349643D+01 -0.700659D+01
                36            37            38            39            40 
      1  -0.586591D+01 -0.205673D+02 -0.108528D+02  0.700947D+01 -0.137361D+02
      2   0.111020D+02  0.374594D+01  0.356786D+01 -0.503481D+01  0.481782D+01
      3  -0.523609D+01  0.168214D+02  0.728496D+01 -0.197466D+01  0.891828D+01
      4   0.316505D+00 -0.161745D+02 -0.481868D+01  0.345831D+01 -0.216742D+00
      5   0.165700D+02  0.705931D+01  0.968407D+00  0.102456D+02  0.475297D+01
      6  -0.278985D+01  0.204056D+01  0.236628D+01  0.179744D+01  0.301344D+01
                41            42            43            44            45 
      1  -0.129772D+02 -0.241650D+01  0.135741D+02  0.121118D+01 -0.303635D+01
      2   0.128186D+02  0.130797D+01 -0.988558D+01  0.165577D+00 -0.921911D+01
      3   0.158591D+00  0.110853D+01 -0.368854D+01 -0.137676D+01  0.122555D+02
      4   0.695752D+01  0.779351D+01  0.114255D+02  0.100662D+02  0.524412D+01
      5   0.717716D+01  0.589610D+01  0.181743D+02  0.845088D+01  0.217583D+02
      6   0.749690D+01  0.830239D+01  0.456762D+01  0.109243D+02  0.867369D+01
                46            47            48            49            50 
      1   0.131264D+01  0.208302D+02 -0.210363D+02  0.236088D+02 -0.767861D+01
      2  -0.142471D+01 -0.129530D+02  0.103462D+02 -0.161656D+02 -0.859435D+00
      3   0.112067D+00 -0.787721D+01  0.106901D+02 -0.744320D+01  0.853805D+01
      4   0.205297D+02 -0.496633D+01  0.197388D+01 -0.100654D+02 -0.267444D+02
      5  -0.230578D+02  0.257958D+01 -0.105366D+02  0.366376D+01 -0.429301D+01
      6   0.808794D-01  0.118352D+00  0.856657D+00 -0.725983D+00 -0.392568D+00
                51            52            53            54            55 
      1   0.542504D+01 -0.279721D+02  0.393890D+01 -0.871888D+01  0.158710D+02
      2  -0.656426D+00  0.121037D+02 -0.146870D+00  0.129849D+02 -0.133833D+02
      3  -0.476861D+01  0.158684D+02 -0.379203D+01 -0.426604D+01 -0.248768D+01
      4  -0.248872D+01  0.315079D+01 -0.141265D+01  0.132405D+02  0.712495D+01
      5   0.151146D+02 -0.178093D+02  0.139318D+02  0.266799D+02 -0.911429D+00
      6   0.952345D+00  0.178581D+01 -0.126872D+01 -0.148830D+01  0.630088D+01
                56            57            58            59            60 
      1  -0.594501D+01  0.712160D+00 -0.687943D+01 -0.152431D+02 -0.597167D+00
      2   0.980864D+01 -0.146134D+01  0.134482D+02  0.297397D+02  0.238826D+01
      3  -0.386363D+01  0.749182D+00 -0.656879D+01 -0.144966D+02 -0.179109D+01
      4  -0.585875D+01  0.483476D+01  0.480631D+01  0.162285D+02 -0.324098D+01
      5   0.214291D+01  0.120608D+01  0.189050D+01 -0.202701D+01  0.206023D+01
      6  -0.452768D+01  0.128185D+02 -0.524650D+01  0.393272D+01 -0.967323D+00
                61            62            63            64            65 
      1   0.320563D+01  0.102295D+01  0.411347D+01  0.258750D+02 -0.141352D+01
      2  -0.281893D+01  0.285314D+01 -0.624553D+01 -0.193877D+02 -0.132767D+01
      3  -0.386709D+00 -0.387609D+01  0.213206D+01 -0.648726D+01  0.274120D+01
      4   0.525047D+01 -0.305514D+01  0.115770D+02 -0.727536D+01  0.105611D+02
      5   0.339859D+01  0.416177D+01 -0.168294D+01 -0.207297D+02  0.485434D+01
      6   0.140697D+02 -0.451980D+01 -0.128362D+02  0.160377D+01 -0.335578D+01
                66            67            68            69            70 
      1  -0.917613D+01 -0.693198D+01 -0.155259D+01  0.981299D+00 -0.152258D+02
      2   0.118267D+02  0.496354D+01  0.386257D+01 -0.116757D+01  0.158351D+02
      3  -0.265057D+01  0.196844D+01 -0.230998D+01  0.186269D+00 -0.609287D+00
      4   0.554938D+01  0.102824D+02 -0.545404D+01 -0.841221D+01  0.453698D+01
      5   0.231354D+02  0.484982D+01 -0.968063D+01 -0.233861D+01  0.273259D+02
      6  -0.226224D+00 -0.330701D+01  0.259291D+01  0.815655D+01 -0.149074D+01
                71            72            73            74            75 
      1  -0.333588D+01 -0.256177D+01  0.103840D+01  0.146967D+00  0.109851D+01
      2   0.526919D+01 -0.213158D+02 -0.395978D+01  0.227978D-01  0.103251D+01
      3  -0.193331D+01  0.238776D+02  0.292138D+01 -0.169765D+00 -0.213102D+01
      4  -0.998162D+01 -0.678725D+01  0.351137D+00  0.158082D+01 -0.613147D+00
      5  -0.366232D+01 -0.399722D+02 -0.127376D+01  0.154182D+00  0.556686D+01
      6   0.908641D+01  0.616267D+00 -0.917830D+00 -0.759168D+00  0.462762D+00
                76            77            78            79            80 
      1   0.315627D+00 -0.372545D+01 -0.916608D+00  0.120551D+00  0.738508D+00
      2   0.113725D+00  0.111873D+01 -0.195637D+01  0.148027D+01 -0.279183D+01
      3  -0.429353D+00  0.260672D+01  0.287297D+01 -0.160082D+01  0.205332D+01
      4   0.179217D+01 -0.246488D+00 -0.352681D+00 -0.783401D+00 -0.515839D-01
      5   0.156875D+00 -0.730467D+00 -0.845076D+00  0.416903D+01  0.291380D-01
      6  -0.261480D+00  0.452122D+00  0.516385D+01  0.695624D-01  0.387349D+01
                81            82            83            84            85 
      1  -0.153738D+02  0.217629D+01  0.222435D+01  0.230096D+01  0.284955D+01
      2  -0.144307D+02 -0.423538D+01 -0.893572D+00 -0.364369D+00 -0.176133D+01
      3   0.298045D+02  0.205909D+01 -0.133078D+01 -0.193659D+01 -0.108822D+01
      4   0.563683D+00  0.213076D+01  0.804902D+00  0.474315D+00  0.120801D+01
      5  -0.187634D+01  0.921106D+00  0.653684D+00  0.524725D+01  0.361046D+00
      6  -0.558335D+01  0.731529D+00 -0.311447D+00 -0.469023D+00  0.191685D+00
                86            87            88            89            90 
      1  -0.528529D+01 -0.259073D+01  0.361431D+01 -0.153440D+01 -0.156176D+02
      2   0.192499D+01 -0.136310D+01 -0.222486D+01 -0.311355D+01 -0.144447D+02
      3   0.336030D+01  0.395383D+01 -0.138945D+01  0.464796D+01  0.300623D+02
      4   0.539954D+00  0.280093D+01  0.677422D+00  0.356829D+01  0.348206D+01
      5   0.311885D+01  0.356921D+01  0.354694D+01  0.310049D+01  0.176149D+02
      6   0.300665D+01  0.709657D+01  0.221528D+00  0.442629D+01  0.288315D+01
                91            92            93            94            95 
      1   0.446865D+02  0.168645D+02  0.109656D+01  0.101156D+02  0.701143D+01
      2  -0.190459D+02 -0.544167D+01 -0.159360D+01 -0.155616D+01  0.833275D+00
      3  -0.256406D+02 -0.114228D+02  0.497038D+00 -0.855948D+01 -0.784470D+01
      4   0.263092D+02  0.165854D+02  0.178198D+01  0.154930D+02  0.127369D+02
      5   0.830314D+01  0.386718D+01  0.636725D+01  0.248178D+01  0.248692D+01
      6   0.177917D+01  0.186520D+01  0.180015D+01  0.153572D+01  0.131929D+01
                96            97            98            99           100 
      1   0.668019D+00 -0.116740D+02 -0.498353D+01  0.272806D+01 -0.269290D+01
      2  -0.882513D+00  0.361016D+01  0.642984D+00 -0.116393D+01  0.739323D+01
      3   0.214494D+00  0.806383D+01  0.434054D+01 -0.156413D+01 -0.470033D+01
      4   0.732120D+00 -0.801042D+01 -0.516425D+01  0.295899D+01 -0.100374D+02
      5   0.280446D+01  0.458842D+01  0.207662D+01 -0.221899D+00  0.364220D+01
      6   0.195957D+01  0.240596D+01  0.187089D+01 -0.457935D+00 -0.746247D+01
               101           102           103           104           105 
      1   0.779688D+01 -0.309082D+01  0.507705D+01 -0.122117D+02  0.440271D+01
      2  -0.138093D+02  0.471353D+01 -0.990807D+01  0.208490D+02 -0.693021D+01
      3   0.601241D+01 -0.162271D+01  0.483103D+01 -0.863730D+01  0.252750D+01
      4   0.145594D+02 -0.677289D+01  0.125878D+02 -0.124251D+02  0.580553D+01
      5  -0.377976D+01  0.432594D+01 -0.214145D+01  0.339593D+01 -0.195508D+01
      6   0.943660D+01 -0.861337D+01  0.730704D+01 -0.105050D+02  0.899715D+01
               106           107           108           109           110 
      1  -0.422248D+01  0.808031D+01 -0.663370D+01 -0.174847D+01  0.257807D+01
      2   0.512777D+01 -0.102969D+02  0.516081D+01  0.219513D+01 -0.377991D+01
      3  -0.905288D+00  0.221656D+01  0.147290D+01 -0.446658D+00  0.120184D+01
      4  -0.907025D+01  0.849496D+01 -0.736702D+01 -0.103630D+01  0.461108D+01
      5   0.423626D+01 -0.351929D+01  0.396739D+01 -0.105018D+01  0.341257D+00
      6  -0.888048D+01  0.126233D+02 -0.115081D+02  0.101279D+01 -0.346419D+01
               111           112           113           114           115 
      1   0.165338D+01  0.841356D+00 -0.504601D+01 -0.280241D+01  0.104158D+01
      2  -0.219371D+01 -0.161270D+01  0.717618D+01  0.390718D+01 -0.150139D+01
      3   0.540331D+00  0.771341D+00 -0.213017D+01 -0.110477D+01  0.459809D+00
      4   0.105931D+01  0.413963D+01 -0.225964D+01 -0.259167D+01  0.479703D+01
      5   0.204575D+01  0.201024D+00 -0.120324D+01 -0.953236D+00  0.160556D+01
      6  -0.484693D+01 -0.298621D+01  0.466243D+01  0.805110D+01 -0.516940D+01
               116           117           118           119           120 
      1  -0.915893D+01 -0.940307D+01  0.530838D+02 -0.109320D+02  0.161639D+02
      2   0.105696D+02  0.405013D+01 -0.284412D+02  0.532423D+01 -0.924880D+01
      3  -0.141066D+01  0.535294D+01 -0.246426D+02  0.560777D+01 -0.691509D+01
      4  -0.357128D+01 -0.407790D+01 -0.113964D+02  0.109211D+02 -0.366491D+01
      5  -0.127283D+01 -0.198502D+01  0.188664D+02 -0.416893D+01  0.152076D+02
      6   0.114909D+02  0.230793D+02 -0.304341D+00  0.491185D+00 -0.120191D+00
               121           122           123           124           125 
      1  -0.207530D+02  0.797259D+01 -0.462379D+01  0.266559D+02 -0.402164D+01
      2   0.107860D+02 -0.195511D+01  0.217730D+01 -0.157405D+02  0.208530D+01
      3   0.996699D+01 -0.601748D+01  0.244648D+01 -0.109154D+02  0.193634D+01
      4   0.130645D+02 -0.703562D+01  0.508270D+01 -0.540898D+01  0.729387D+01
      5  -0.656973D+01  0.527657D+01 -0.812244D+01  0.190005D+02 -0.596197D+01
      6   0.128002D+01 -0.159021D+01  0.197057D+01 -0.932273D+00  0.228881D+01
               126           127           128           129           130 
      1   0.112314D+02  0.696086D+01 -0.300787D+01 -0.455327D+01 -0.686682D+01
      2  -0.101411D+02 -0.605247D+01  0.209870D+01  0.398509D+01  0.456194D+01
      3  -0.109028D+01 -0.908392D+00  0.909169D+00  0.568179D+00  0.230488D+01
      4  -0.534007D+01 -0.276148D+01  0.273526D+01  0.999455D+00  0.469487D+01
      5   0.130178D+02 -0.552528D+01  0.133294D+01  0.106731D+02  0.365155D+01
      6  -0.112718D+01  0.847825D+00 -0.371665D-01  0.153307D+00 -0.168414D+01
               131           132           133           134           135 
      1   0.222410D+00 -0.383024D+00 -0.113412D+02 -0.917571D+00  0.102788D+01
      2  -0.185743D+00 -0.209500D+01  0.106015D+02 -0.106503D+01 -0.172890D+02
      3  -0.366670D-01  0.247803D+01  0.739709D+00  0.198260D+01  0.162611D+02
      4  -0.181824D+01 -0.569155D+01  0.135574D+01 -0.834128D+01 -0.636117D+01
      5  -0.517946D+01 -0.920438D+01  0.190778D+02 -0.608619D+01 -0.398844D+02
      6   0.257662D+01  0.447834D+01 -0.114410D+01  0.491851D+01  0.209563D+01
               136           137           138           139           140 
      1   0.499651D+01  0.343601D+01  0.193967D+01  0.130841D+02  0.221478D+01
      2  -0.222474D+00  0.120260D+01 -0.107355D+01 -0.374910D+01  0.121619D+02
      3  -0.477403D+01 -0.463861D+01 -0.866115D+00 -0.933504D+01 -0.143766D+02
      4   0.638535D+01  0.114629D+02 -0.329684D+00  0.165713D+02  0.404295D+02
      5   0.155488D+01 -0.488621D+00  0.276174D+01 -0.103805D+01  0.121606D+01
      6  -0.294656D+00 -0.649841D+00  0.891507D+00  0.153834D+00 -0.996097D+00
               141           142           143           144           145 
      1  -0.756794D+00  0.335957D+01 -0.561140D+00  0.954596D+00 -0.739073D+01
      2   0.738952D+00 -0.150130D+01  0.427358D+00 -0.116262D+01  0.771196D+01
      3   0.178424D-01 -0.185827D+01  0.133782D+00  0.208026D+00 -0.321230D+00
      4   0.188960D+00  0.100899D+00  0.887500D+00  0.281726D+01  0.154198D+02
      5   0.602132D+01  0.504343D+01  0.341027D+01 -0.221443D+01 -0.272327D+01
      6   0.412222D+01  0.100144D+01  0.484198D+01  0.654206D+00 -0.874617D+01
               146           147           148           149           150 
      1  -0.124271D+02  0.601432D+01 -0.718555D+01 -0.818095D+01  0.381793D+01
      2   0.148253D+02 -0.359256D+01  0.876312D+01  0.114428D+02 -0.412284D+01
      3  -0.239823D+01 -0.242176D+01 -0.157757D+01 -0.326181D+01  0.304907D+00
      4   0.753821D+01 -0.596346D+01  0.831921D+01  0.517451D+01 -0.228692D+01
      5  -0.203789D+01  0.247884D+01 -0.123961D+01 -0.933450D+00 -0.769802D-01
      6  -0.670902D+01  0.800539D+01 -0.466972D+01 -0.557337D+01  0.654664D+01
               151           152           153           154           155 
      1   0.597116D+01  0.633586D+01 -0.710508D+01 -0.905226D+00 -0.195383D+01
      2  -0.303818D+01 -0.671175D+01  0.339763D+01  0.137338D+01  0.652745D+00
      3  -0.293299D+01  0.375893D+00  0.370744D+01 -0.468153D+00  0.130109D+01
      4  -0.686720D+01 -0.147617D+01  0.244798D+01 -0.160770D+01  0.530591D+01
      5   0.335448D+01 -0.540949D+00 -0.213448D+01 -0.118328D+01  0.518870D+00
      6   0.587394D+01  0.850676D+01 -0.575773D+01  0.147501D+01  0.720181D-01
               156           157           158           159           160 
      1  -0.125144D+01 -0.980356D+00 -0.610967D+01 -0.499068D+01 -0.224690D+01
      2   0.798551D+00 -0.104284D+00  0.839057D+01  0.677166D+01  0.103164D+01
      3   0.452891D+00  0.108464D+01 -0.228090D+01 -0.178099D+01  0.121526D+01
      4   0.169720D+01  0.440678D+01 -0.334166D+01 -0.232734D+01  0.467501D+01
      5   0.381511D+01 -0.187660D+00 -0.254865D+01 -0.298289D+01  0.445059D+01
      6  -0.457975D+00 -0.320631D-02  0.775213D+01  0.118604D+02 -0.119776D+01
               161           162           163           164           165 
      1  -0.100825D+02 -0.110477D+02  0.122017D+02 -0.132015D+01  0.252173D+01
      2   0.127431D+02  0.412621D+01  0.262170D+00 -0.951801D+01 -0.285460D+00
      3  -0.266061D+01  0.692146D+01 -0.124639D+02  0.108382D+02 -0.223627D+01
      4  -0.654831D+01 -0.594423D+01 -0.257163D+02  0.232789D+02 -0.108848D+02
      5  -0.586937D+01 -0.125182D+02  0.107756D+02 -0.705690D+01  0.913628D+01
      6   0.158188D+02  0.272909D+02 -0.103379D+02  0.845555D+01 -0.930770D+01
               166           167           168           169           170 
      1  -0.130131D+01 -0.325429D+01  0.180704D+01  0.361889D+01  0.291953D+01
      2  -0.665327D+01  0.134127D+02 -0.435267D+01 -0.766570D+00 -0.648237D+01
      3   0.795458D+01 -0.101584D+02  0.254563D+01 -0.285231D+01  0.356284D+01
      4   0.175185D+02 -0.183562D+02  0.739509D+01 -0.122851D+02  0.109860D+02
      5  -0.463368D+01  0.614111D+01 -0.474310D+01  0.917703D+01 -0.708140D+01
      6   0.626218D+01 -0.927299D+01  0.895032D+01 -0.781687D+01  0.113134D+02
               171 
      1  -0.180381D+01
      2   0.106964D+01
      3   0.734170D+00
      4  -0.964864D+01
      5   0.794043D+01
      6  -0.839758D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.501586D+00      0.127490D+01      0.425262D+01
   x         -0.156035D+00     -0.396600D+00     -0.132292D+01
   y         -0.239543D+00     -0.608856D+00     -0.203093D+01
   z         -0.412142D+00     -0.104756D+01     -0.349428D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.752545D+02      0.111516D+02      0.124078D+02
   aniso      0.141936D+02      0.210328D+01      0.234021D+01
   xx         0.826561D+02      0.122484D+02      0.136281D+02
   yx         0.225054D+01      0.333496D+00      0.371065D+00
   yy         0.756861D+02      0.112155D+02      0.124790D+02
   zx        -0.872645D+00     -0.129313D+00     -0.143880D+00
   zy         0.177831D+01      0.263518D+00      0.293203D+00
   zz         0.674213D+02      0.999081D+01      0.111163D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.804969D+02      0.119284D+02      0.132721D+02
   aniso      0.151190D+02      0.224040D+01      0.249278D+01
   xx         0.882463D+02      0.130767D+02      0.145498D+02
   yx         0.250961D+01      0.371886D+00      0.413779D+00
   yy         0.810521D+02      0.120107D+02      0.133637D+02
   zx        -0.138382D+01     -0.205061D+00     -0.228161D+00
   zy         0.182166D+01      0.269943D+00      0.300352D+00
   zz         0.721924D+02      0.106978D+02      0.119029D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          1.90593186          3.25453438          0.61880130
     6          1.88158911          0.86762348         -1.00881899
     6          0.19017088         -1.22583914          0.12243907
     6         -2.40174390         -0.14745990          0.75559996
     8         -2.73278105          0.24537777          3.25832453
     6          4.55883121         -0.12821430         -1.42067457
     7         -0.00640606         -3.34736487         -1.62753542
     8         -4.01847569          0.31470458         -0.77955007
     1          1.05581436         -1.89619419          1.87100190
     1          1.05865054          1.34533023         -2.84799768
     1         -4.40894597          0.95998834          3.47637343
     1         -0.85606360         -4.84376275         -0.78808298
     1         -1.10707157         -2.84155957         -3.11516570
     1          5.70682207          1.27766173         -2.40069455
     1          5.46784590         -0.53000369          0.39159401
     1          4.54261460         -1.86019460         -2.52912234
     1          0.03910914          4.11499039          0.77550808
     1          2.57642298          2.84101298          2.52770983
     1          3.17103297          4.65977171         -0.20264900

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.501586D+00      0.127490D+01      0.425262D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.501586D+00      0.127490D+01      0.425262D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.752545D+02      0.111516D+02      0.124078D+02
   aniso      0.141936D+02      0.210328D+01      0.234021D+01
   xx         0.813922D+02      0.120611D+02      0.134198D+02
   yx        -0.708765D-01     -0.105028D-01     -0.116860D-01
   yy         0.719725D+02      0.106652D+02      0.118667D+02
   zx        -0.414836D+01     -0.614723D+00     -0.683972D+00
   zy         0.465194D+01      0.689346D+00      0.767001D+00
   zz         0.723989D+02      0.107284D+02      0.119370D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.804969D+02      0.119284D+02      0.132721D+02
   aniso      0.151190D+02      0.224040D+01      0.249278D+01
   xx         0.871649D+02      0.129165D+02      0.143716D+02
   yx        -0.389567D+00     -0.577279D-01     -0.642310D-01
   yy         0.770913D+02      0.114238D+02      0.127106D+02
   zx        -0.411946D+01     -0.610441D+00     -0.679207D+00
   zy         0.507160D+01      0.751533D+00      0.836194D+00
   zz         0.772345D+02      0.114450D+02      0.127343D+02

 ----------------------------------------------------------------------
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 ON A TOMBSTONE, "HERE LIES LESTER MOORE,
 FOUR SLUGS FROM A 44, NO LES, NO MORE".
 Job cpu time:       0 days  6 hours 26 minutes 53.3 seconds.
 Elapsed time:       0 days  0 hours 48 minutes 23.7 seconds.
 File lengths (MBytes):  RWF=    240 Int=      0 D2E=      0 Chk=      8 Scr=      2
 Normal termination of Gaussian 16 at Sun Sep 26 20:19:17 2021.
